N-[3-(1H-imidazol-2-yl)propyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

C14H22N4O — CID 102893830

IUPACN-[3-(1H-imidazol-2-yl)propyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESO=C(NCCCc1ncc[nH]1)C1NCC2CCCC21
InChIInChI=1S/C14H22N4O/c19-14(13-11-4-1-3-10(11)9-18-13)17-6-2-5-12-15-7-8-16-12/h7-8,10-11,13,18H,1-6,9H2,(H,15,16)(H,17,19)
InChIKeyWABPQVKARCDIRN-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.85
Rot. Bonds5

About N-[3-(1H-imidazol-2-yl)propyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

N-[3-(1H-imidazol-2-yl)propyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 102893830) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[3-(1H-imidazol-2-yl)propyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-imidazol-2-yl)propyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID102893830
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[3-(1H-imidazol-2-yl)propyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESO=C(NCCCc1ncc[nH]1)C1NCC2CCCC21
InChIInChI=1S/C14H22N4O/c19-14(13-11-4-1-3-10(11)9-18-13)17-6-2-5-12-15-7-8-16-12/h7-8,10-11,13,18H,1-6,9H2,(H,15,16)(H,17,19)
InChIKeyWABPQVKARCDIRN-UHFFFAOYSA-N
XLogP0.85
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-2-yl)propyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-[3-(1H-imidazol-2-yl)propyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 102893830) is N-[3-(1H-imidazol-2-yl)propyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-[3-(1H-imidazol-2-yl)propyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-[3-(1H-imidazol-2-yl)propyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is O=C(NCCCc1ncc[nH]1)C1NCC2CCCC21.
What is the InChIKey of N-[3-(1H-imidazol-2-yl)propyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is WABPQVKARCDIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c19-14(13-11-4-1-3-10(11)9-18-13)17-6-2-5-12-15-7-8-16-12/h7-8,10-11,13,18H,1-6,9H2,(H,15,16)(H,17,19).
What are the key properties of N-[3-(1H-imidazol-2-yl)propyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-[3-(1H-imidazol-2-yl)propyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-2-yl)propyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 102893830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).