N-(2-hydroxypropyl)-N-methylcyclopent-3-ene-1-carboxamide

C10H17NO2 — CID 64767546

IUPACN-(2-hydroxypropyl)-N-methylcyclopent-3-ene-1-carboxamide
SMILESCC(O)CN(C)C(=O)C1CC=CC1
InChIInChI=1S/C10H17NO2/c1-8(12)7-11(2)10(13)9-5-3-4-6-9/h3-4,8-9,12H,5-7H2,1-2H3
InChIKeyAKKPTBRBCVVIJT-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.79
Rot. Bonds3

About N-(2-hydroxypropyl)-N-methylcyclopent-3-ene-1-carboxamide

N-(2-hydroxypropyl)-N-methylcyclopent-3-ene-1-carboxamide (PubChem CID 64767546) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methylcyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methylcyclopent-3-ene-1-carboxamide
PubChem CID64767546
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-(2-hydroxypropyl)-N-methylcyclopent-3-ene-1-carboxamide
SMILESCC(O)CN(C)C(=O)C1CC=CC1
InChIInChI=1S/C10H17NO2/c1-8(12)7-11(2)10(13)9-5-3-4-6-9/h3-4,8-9,12H,5-7H2,1-2H3
InChIKeyAKKPTBRBCVVIJT-UHFFFAOYSA-N
XLogP0.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methylcyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methylcyclopent-3-ene-1-carboxamide (CID 64767546) is N-(2-hydroxypropyl)-N-methylcyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methylcyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methylcyclopent-3-ene-1-carboxamide is CC(O)CN(C)C(=O)C1CC=CC1.
What is the InChIKey of N-(2-hydroxypropyl)-N-methylcyclopent-3-ene-1-carboxamide?
The InChIKey is AKKPTBRBCVVIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(12)7-11(2)10(13)9-5-3-4-6-9/h3-4,8-9,12H,5-7H2,1-2H3.
What are the key properties of N-(2-hydroxypropyl)-N-methylcyclopent-3-ene-1-carboxamide?
N-(2-hydroxypropyl)-N-methylcyclopent-3-ene-1-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methylcyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 64767546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).