N-[[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]methyl]formamide

C9H16N2O — CID 87569800

IUPACN-[[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]methyl]formamide
SMILESO=CNCC1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C9H16N2O/c12-6-11-3-7-1-8-4-10-5-9(8)2-7/h6-10H,1-5H2,(H,11,12)/t7?,8-,9+
InChIKeyRZDGGNSZMVDJNY-CBLAIPOGSA-N
MW168.24 g/mol
LogP-0.02
Rot. Bonds3

About N-[[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]methyl]formamide

N-[[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]methyl]formamide (PubChem CID 87569800) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]methyl]formamide
PubChem CID87569800
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-[[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]methyl]formamide
SMILESO=CNCC1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C9H16N2O/c12-6-11-3-7-1-8-4-10-5-9(8)2-7/h6-10H,1-5H2,(H,11,12)/t7?,8-,9+
InChIKeyRZDGGNSZMVDJNY-CBLAIPOGSA-N
XLogP-0.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]methyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]methyl]formamide?
The IUPAC name of N-[[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]methyl]formamide (CID 87569800) is N-[[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]methyl]formamide.
What is the SMILES notation for N-[[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]methyl]formamide?
The canonical SMILES for N-[[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]methyl]formamide is O=CNCC1C[C@H]2CNC[C@H]2C1.
What is the InChIKey of N-[[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]methyl]formamide?
The InChIKey is RZDGGNSZMVDJNY-CBLAIPOGSA-N. The full InChI is InChI=1S/C9H16N2O/c12-6-11-3-7-1-8-4-10-5-9(8)2-7/h6-10H,1-5H2,(H,11,12)/t7?,8-,9+.
What are the key properties of N-[[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]methyl]formamide?
N-[[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]methyl]formamide has a molecular weight of 168.24 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]methyl]formamide is sourced from PubChem (CID 87569800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).