[(3aR,6aS)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-cyclopent-3-en-1-ylmethanone

C17H25NO3 — CID 124800529

IUPAC[(3aR,6aS)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-cyclopent-3-en-1-ylmethanone
SMILESO=C(C1CC=CC1)N1C[C@H]2COC[C@@]2(COCC2CC2)C1
InChIInChI=1S/C17H25NO3/c19-16(14-3-1-2-4-14)18-7-15-9-21-12-17(15,10-18)11-20-8-13-5-6-13/h1-2,13-15H,3-12H2/t15-,17-/m0/s1
InChIKeyPPFMHKYYRWJXBR-RDJZCZTQSA-N
MW291.39 g/mol
LogP1.85
Rot. Bonds5

About [(3aR,6aS)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-cyclopent-3-en-1-ylmethanone

[(3aR,6aS)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-cyclopent-3-en-1-ylmethanone (PubChem CID 124800529) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is [(3aR,6aS)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-cyclopent-3-en-1-ylmethanone.

Molecular Properties

Compound Name[(3aR,6aS)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-cyclopent-3-en-1-ylmethanone
PubChem CID124800529
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name[(3aR,6aS)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-cyclopent-3-en-1-ylmethanone
SMILESO=C(C1CC=CC1)N1C[C@H]2COC[C@@]2(COCC2CC2)C1
InChIInChI=1S/C17H25NO3/c19-16(14-3-1-2-4-14)18-7-15-9-21-12-17(15,10-18)11-20-8-13-5-6-13/h1-2,13-15H,3-12H2/t15-,17-/m0/s1
InChIKeyPPFMHKYYRWJXBR-RDJZCZTQSA-N
XLogP1.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(3aR,6aS)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-cyclopent-3-en-1-ylmethanone with MolForge

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Related Compounds

[(3aS,6aR)-3a-(cyclopentylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3,3-difluorocyclobutyl)methanone
CID 97420986
[(3aR,6aS)-3a-(oxan-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyridazin-4-ylmethanone
CID 124795109
1-[(3aS,6aR)-3a-(cyclobutylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-methylsulfonylethanone
CID 97476979
[(4aR,8aR)-4a-(cyclopropylmethoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-cyclopent-3-en-1-ylmethanone
CID 97363898
1-[(3aS,6aR)-3a-(oxan-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-phenylethanone
CID 97421005
1-[(3aS,6aR)-3a-(oxan-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-3-methylsulfonylpropan-1-one
CID 131697059
(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-N,N-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-sulfonamide
CID 97420968
[(3aS,6aR)-3a-(oxan-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97421006
(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97423201
2-[[(3aR,6aR)-5-methylsulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 97421039
1-[(3aS,6aR)-3a-(ethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-cyclopentyloxyethanone
CID 97420903
[(3aR,6aR)-3a-(pyridin-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 97477527

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aS)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-cyclopent-3-en-1-ylmethanone?
The IUPAC name of [(3aR,6aS)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-cyclopent-3-en-1-ylmethanone (CID 124800529) is [(3aR,6aS)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-cyclopent-3-en-1-ylmethanone.
What is the SMILES notation for [(3aR,6aS)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-cyclopent-3-en-1-ylmethanone?
The canonical SMILES for [(3aR,6aS)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-cyclopent-3-en-1-ylmethanone is O=C(C1CC=CC1)N1C[C@H]2COC[C@@]2(COCC2CC2)C1.
What is the InChIKey of [(3aR,6aS)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-cyclopent-3-en-1-ylmethanone?
The InChIKey is PPFMHKYYRWJXBR-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H25NO3/c19-16(14-3-1-2-4-14)18-7-15-9-21-12-17(15,10-18)11-20-8-13-5-6-13/h1-2,13-15H,3-12H2/t15-,17-/m0/s1.
What are the key properties of [(3aR,6aS)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-cyclopent-3-en-1-ylmethanone?
[(3aR,6aS)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-cyclopent-3-en-1-ylmethanone has a molecular weight of 291.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aS)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-cyclopent-3-en-1-ylmethanone is sourced from PubChem (CID 124800529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).