(3aS,7aS)-N-[(1-methylcyclopentyl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide

C15H26N2O2 — CID 138010042

IUPAC(3aS,7aS)-N-[(1-methylcyclopentyl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
SMILESCC1(CNC(=O)[C@]23CNC[C@H]2CCOC3)CCCC1
InChIInChI=1S/C15H26N2O2/c1-14(5-2-3-6-14)9-17-13(18)15-10-16-8-12(15)4-7-19-11-15/h12,16H,2-11H2,1H3,(H,17,18)/t12-,15+/m1/s1
InChIKeyGPOXEWIYMCDXEZ-DOMZBBRYSA-N
MW266.38 g/mol
LogP1.31
Rot. Bonds3

About (3aS,7aS)-N-[(1-methylcyclopentyl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide

(3aS,7aS)-N-[(1-methylcyclopentyl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide (PubChem CID 138010042) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (3aS,7aS)-N-[(1-methylcyclopentyl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aS,7aS)-N-[(1-methylcyclopentyl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
PubChem CID138010042
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(3aS,7aS)-N-[(1-methylcyclopentyl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
SMILESCC1(CNC(=O)[C@]23CNC[C@H]2CCOC3)CCCC1
InChIInChI=1S/C15H26N2O2/c1-14(5-2-3-6-14)9-17-13(18)15-10-16-8-12(15)4-7-19-11-15/h12,16H,2-11H2,1H3,(H,17,18)/t12-,15+/m1/s1
InChIKeyGPOXEWIYMCDXEZ-DOMZBBRYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,7aS)-N-[(1-methylcyclopentyl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aS,7aS)-N-[(1-methylcyclopentyl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide (CID 138010042) is (3aS,7aS)-N-[(1-methylcyclopentyl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aS,7aS)-N-[(1-methylcyclopentyl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aS,7aS)-N-[(1-methylcyclopentyl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide is CC1(CNC(=O)[C@]23CNC[C@H]2CCOC3)CCCC1.
What is the InChIKey of (3aS,7aS)-N-[(1-methylcyclopentyl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is GPOXEWIYMCDXEZ-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-14(5-2-3-6-14)9-17-13(18)15-10-16-8-12(15)4-7-19-11-15/h12,16H,2-11H2,1H3,(H,17,18)/t12-,15+/m1/s1.
What are the key properties of (3aS,7aS)-N-[(1-methylcyclopentyl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide?
(3aS,7aS)-N-[(1-methylcyclopentyl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aS)-N-[(1-methylcyclopentyl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 138010042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).