1-[(3aR,6aR)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-4-yl]-2,2-dimethylpropan-1-one

C18H31NO3 — CID 59289389

IUPAC1-[(3aR,6aR)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-4-yl]-2,2-dimethylpropan-1-one
SMILESCC1(C)C[C@@H]2C(C(=O)C(C)(C)C)N(C(=O)C(C)(C)C)C[C@@H]2O1
InChIInChI=1S/C18H31NO3/c1-16(2,3)14(20)13-11-9-18(7,8)22-12(11)10-19(13)15(21)17(4,5)6/h11-13H,9-10H2,1-8H3/t11-,12-,13?/m0/s1
InChIKeyVZJCALIMBMDJTQ-VYAYZGMFSA-N
MW309.45 g/mol
LogP3.04
Rot. Bonds1

About 1-[(3aR,6aR)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-4-yl]-2,2-dimethylpropan-1-one

1-[(3aR,6aR)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-4-yl]-2,2-dimethylpropan-1-one (PubChem CID 59289389) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-[(3aR,6aR)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-4-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[(3aR,6aR)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-4-yl]-2,2-dimethylpropan-1-one
PubChem CID59289389
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Name1-[(3aR,6aR)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-4-yl]-2,2-dimethylpropan-1-one
SMILESCC1(C)C[C@@H]2C(C(=O)C(C)(C)C)N(C(=O)C(C)(C)C)C[C@@H]2O1
InChIInChI=1S/C18H31NO3/c1-16(2,3)14(20)13-11-9-18(7,8)22-12(11)10-19(13)15(21)17(4,5)6/h11-13H,9-10H2,1-8H3/t11-,12-,13?/m0/s1
InChIKeyVZJCALIMBMDJTQ-VYAYZGMFSA-N
XLogP3.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3aR,6aR)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-4-yl]-2,2-dimethylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(3aR,6aR)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-4-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[(3aR,6aR)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-4-yl]-2,2-dimethylpropan-1-one (CID 59289389) is 1-[(3aR,6aR)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-4-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[(3aR,6aR)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-4-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[(3aR,6aR)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-4-yl]-2,2-dimethylpropan-1-one is CC1(C)C[C@@H]2C(C(=O)C(C)(C)C)N(C(=O)C(C)(C)C)C[C@@H]2O1.
What is the InChIKey of 1-[(3aR,6aR)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-4-yl]-2,2-dimethylpropan-1-one?
The InChIKey is VZJCALIMBMDJTQ-VYAYZGMFSA-N. The full InChI is InChI=1S/C18H31NO3/c1-16(2,3)14(20)13-11-9-18(7,8)22-12(11)10-19(13)15(21)17(4,5)6/h11-13H,9-10H2,1-8H3/t11-,12-,13?/m0/s1.
What are the key properties of 1-[(3aR,6aR)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-4-yl]-2,2-dimethylpropan-1-one?
1-[(3aR,6aR)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-4-yl]-2,2-dimethylpropan-1-one has a molecular weight of 309.45 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aR,6aR)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-4-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 59289389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).