(3aS,6aR)-5-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one

C15H22N4O — CID 124816637

IUPAC(3aS,6aR)-5-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
SMILESCn1ccnc1CN1C[C@@H]2CN(CC3CC3)C(=O)[C@@H]2C1
InChIInChI=1S/C15H22N4O/c1-17-5-4-16-14(17)10-18-7-12-8-19(6-11-2-3-11)15(20)13(12)9-18/h4-5,11-13H,2-3,6-10H2,1H3/t12-,13-/m1/s1
InChIKeyJCPIMEFROBSKIH-CHWSQXEVSA-N
MW274.37 g/mol
LogP0.72
Rot. Bonds4

About (3aS,6aR)-5-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one

(3aS,6aR)-5-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one (PubChem CID 124816637) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (3aS,6aR)-5-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one.

Molecular Properties

Compound Name(3aS,6aR)-5-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
PubChem CID124816637
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(3aS,6aR)-5-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
SMILESCn1ccnc1CN1C[C@@H]2CN(CC3CC3)C(=O)[C@@H]2C1
InChIInChI=1S/C15H22N4O/c1-17-5-4-16-14(17)10-18-7-12-8-19(6-11-2-3-11)15(20)13(12)9-18/h4-5,11-13H,2-3,6-10H2,1H3/t12-,13-/m1/s1
InChIKeyJCPIMEFROBSKIH-CHWSQXEVSA-N
XLogP0.72
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aS,6aR)-5-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one with MolForge

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Related Compounds

(3aS,6aR)-2-[(1-methylimidazol-2-yl)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 124815355
(5R)-7-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26401866
(3aS,6aR)-2-[(1-methylimidazol-2-yl)methyl]-5-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97457917
(3aR,6aS)-2-[(1-methylimidazol-2-yl)methyl]-5-pyridin-3-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one;bis(2,2,2-trifluoroacetic acid)
CID 155856747
3-amino-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-one
CID 63296054
(3aR,4R,7aS)-4-ethyl-2-[(1-methylimidazol-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-ol
CID 135087494
N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-amine
CID 63295696
1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 42961844
[(3aS,6aR)-2-[(1-methylimidazol-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155823709
1-(cyclobutylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97451334
1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64970996
1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine
CID 86771066

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The IUPAC name of (3aS,6aR)-5-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one (CID 124816637) is (3aS,6aR)-5-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one.
What is the SMILES notation for (3aS,6aR)-5-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The canonical SMILES for (3aS,6aR)-5-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one is Cn1ccnc1CN1C[C@@H]2CN(CC3CC3)C(=O)[C@@H]2C1.
What is the InChIKey of (3aS,6aR)-5-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The InChIKey is JCPIMEFROBSKIH-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H22N4O/c1-17-5-4-16-14(17)10-18-7-12-8-19(6-11-2-3-11)15(20)13(12)9-18/h4-5,11-13H,2-3,6-10H2,1H3/t12-,13-/m1/s1.
What are the key properties of (3aS,6aR)-5-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
(3aS,6aR)-5-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one has a molecular weight of 274.37 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one is sourced from PubChem (CID 124816637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).