N-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide

C11H15N3O — CID 64982967

IUPACN-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1CC=CC1
InChIInChI=1S/C11H15N3O/c15-11(9-3-1-2-4-9)13-6-5-10-7-12-8-14-10/h1-2,7-9H,3-6H2,(H,12,14)(H,13,15)
InChIKeySACDPXRMLXWELA-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.03
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide (PubChem CID 64982967) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide
PubChem CID64982967
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1CC=CC1
InChIInChI=1S/C11H15N3O/c15-11(9-3-1-2-4-9)13-6-5-10-7-12-8-14-10/h1-2,7-9H,3-6H2,(H,12,14)(H,13,15)
InChIKeySACDPXRMLXWELA-UHFFFAOYSA-N
XLogP1.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 65232143
N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide
CID 65232091
N-[2-(1H-imidazol-5-yl)ethyl]-5-methyloxolane-3-carboxamide
CID 114826330
(2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide
CID 15296546
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
N-[2-(1H-imidazol-5-yl)ethyl]piperidine-2-carboxamide
CID 65232472
(3R)-1-cyclopropyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 97135466
3-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 65232024
3-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 68665371
N-[2-(1H-imidazol-5-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 72876993
1-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42649268
N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 77091092

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide (CID 64982967) is N-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide is O=C(NCCc1cnc[nH]1)C1CC=CC1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is SACDPXRMLXWELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c15-11(9-3-1-2-4-9)13-6-5-10-7-12-8-14-10/h1-2,7-9H,3-6H2,(H,12,14)(H,13,15).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 64982967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).