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

C9H16N2O — CID 86293268

IUPACN-[(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]formamide
SMILESCC1(NC=O)C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C9H16N2O/c1-9(11-6-12)2-7-4-10-5-8(7)3-9/h6-8,10H,2-5H2,1H3,(H,11,12)/t7-,8+,9?
InChIKeyBKOSJFQFYYKCAP-JVHMLUBASA-N
MW168.24 g/mol
LogP0.12
Rot. Bonds2

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

N-[(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]formamide (PubChem CID 86293268) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]formamide.

Molecular Properties

Compound NameN-[(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]formamide
PubChem CID86293268
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-[(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]formamide
SMILESCC1(NC=O)C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C9H16N2O/c1-9(11-6-12)2-7-4-10-5-8(7)3-9/h6-8,10H,2-5H2,1H3,(H,11,12)/t7-,8+,9?
InChIKeyBKOSJFQFYYKCAP-JVHMLUBASA-N
XLogP0.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]formamide?
The IUPAC name of N-[(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]formamide (CID 86293268) is N-[(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]formamide.
What is the SMILES notation for N-[(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]formamide?
The canonical SMILES for N-[(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]formamide is CC1(NC=O)C[C@H]2CNC[C@H]2C1.
What is the InChIKey of N-[(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]formamide?
The InChIKey is BKOSJFQFYYKCAP-JVHMLUBASA-N. The full InChI is InChI=1S/C9H16N2O/c1-9(11-6-12)2-7-4-10-5-8(7)3-9/h6-8,10H,2-5H2,1H3,(H,11,12)/t7-,8+,9?.
What are the key properties of N-[(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]formamide?
N-[(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]formamide has a molecular weight of 168.24 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]formamide is sourced from PubChem (CID 86293268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).