N-(3-hydroxybutyl)-N-methylcyclopent-3-ene-1-carboxamide

C11H19NO2 — CID 115691631

IUPACN-(3-hydroxybutyl)-N-methylcyclopent-3-ene-1-carboxamide
SMILESCC(O)CCN(C)C(=O)C1CC=CC1
InChIInChI=1S/C11H19NO2/c1-9(13)7-8-12(2)11(14)10-5-3-4-6-10/h3-4,9-10,13H,5-8H2,1-2H3
InChIKeyIVRPFZTZBUINLK-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.18
Rot. Bonds4

About N-(3-hydroxybutyl)-N-methylcyclopent-3-ene-1-carboxamide

N-(3-hydroxybutyl)-N-methylcyclopent-3-ene-1-carboxamide (PubChem CID 115691631) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N-methylcyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N-methylcyclopent-3-ene-1-carboxamide
PubChem CID115691631
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-(3-hydroxybutyl)-N-methylcyclopent-3-ene-1-carboxamide
SMILESCC(O)CCN(C)C(=O)C1CC=CC1
InChIInChI=1S/C11H19NO2/c1-9(13)7-8-12(2)11(14)10-5-3-4-6-10/h3-4,9-10,13H,5-8H2,1-2H3
InChIKeyIVRPFZTZBUINLK-UHFFFAOYSA-N
XLogP1.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.18
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-(3-hydroxybutyl)-N-methylcyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-N-methylcyclopent-3-ene-1-carboxamide (CID 115691631) is N-(3-hydroxybutyl)-N-methylcyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N-methylcyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-N-methylcyclopent-3-ene-1-carboxamide is CC(O)CCN(C)C(=O)C1CC=CC1.
What is the InChIKey of N-(3-hydroxybutyl)-N-methylcyclopent-3-ene-1-carboxamide?
The InChIKey is IVRPFZTZBUINLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(13)7-8-12(2)11(14)10-5-3-4-6-10/h3-4,9-10,13H,5-8H2,1-2H3.
What are the key properties of N-(3-hydroxybutyl)-N-methylcyclopent-3-ene-1-carboxamide?
N-(3-hydroxybutyl)-N-methylcyclopent-3-ene-1-carboxamide has a molecular weight of 197.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N-methylcyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 115691631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).