2-[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one

C16H22N4O2 — CID 97197951

IUPAC2-[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
SMILESO=C1NCCCc2[nH]c([C@@H]3CC(=O)N(C4CCCC4)C3)nc21
InChIInChI=1S/C16H22N4O2/c21-13-8-10(9-20(13)11-4-1-2-5-11)15-18-12-6-3-7-17-16(22)14(12)19-15/h10-11H,1-9H2,(H,17,22)(H,18,19)/t10-/m1/s1
InChIKeyWEFGVBPUHLILLT-SNVBAGLBSA-N
MW302.38 g/mol
LogP1.34
Rot. Bonds2

About 2-[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one

2-[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one (PubChem CID 97197951) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one.

Molecular Properties

Compound Name2-[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
PubChem CID97197951
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
SMILESO=C1NCCCc2[nH]c([C@@H]3CC(=O)N(C4CCCC4)C3)nc21
InChIInChI=1S/C16H22N4O2/c21-13-8-10(9-20(13)11-4-1-2-5-11)15-18-12-6-3-7-17-16(22)14(12)19-15/h10-11H,1-9H2,(H,17,22)(H,18,19)/t10-/m1/s1
InChIKeyWEFGVBPUHLILLT-SNVBAGLBSA-N
XLogP1.34
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
The IUPAC name of 2-[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one (CID 97197951) is 2-[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one.
What is the SMILES notation for 2-[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
The canonical SMILES for 2-[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one is O=C1NCCCc2[nH]c([C@@H]3CC(=O)N(C4CCCC4)C3)nc21.
What is the InChIKey of 2-[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
The InChIKey is WEFGVBPUHLILLT-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-13-8-10(9-20(13)11-4-1-2-5-11)15-18-12-6-3-7-17-16(22)14(12)19-15/h10-11H,1-9H2,(H,17,22)(H,18,19)/t10-/m1/s1.
What are the key properties of 2-[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
2-[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one has a molecular weight of 302.38 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one is sourced from PubChem (CID 97197951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).