N-(3-hydroxypropyl)-N-propan-2-ylcyclopent-3-ene-1-carboxamide

C12H21NO2 — CID 64767188

IUPACN-(3-hydroxypropyl)-N-propan-2-ylcyclopent-3-ene-1-carboxamide
SMILESCC(C)N(CCCO)C(=O)C1CC=CC1
InChIInChI=1S/C12H21NO2/c1-10(2)13(8-5-9-14)12(15)11-6-3-4-7-11/h3-4,10-11,14H,5-9H2,1-2H3
InChIKeyQTTQCNWAGRLVNN-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.57
Rot. Bonds5

About N-(3-hydroxypropyl)-N-propan-2-ylcyclopent-3-ene-1-carboxamide

N-(3-hydroxypropyl)-N-propan-2-ylcyclopent-3-ene-1-carboxamide (PubChem CID 64767188) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-propan-2-ylcyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-propan-2-ylcyclopent-3-ene-1-carboxamide
PubChem CID64767188
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-(3-hydroxypropyl)-N-propan-2-ylcyclopent-3-ene-1-carboxamide
SMILESCC(C)N(CCCO)C(=O)C1CC=CC1
InChIInChI=1S/C12H21NO2/c1-10(2)13(8-5-9-14)12(15)11-6-3-4-7-11/h3-4,10-11,14H,5-9H2,1-2H3
InChIKeyQTTQCNWAGRLVNN-UHFFFAOYSA-N
XLogP1.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.57
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-hydroxypropyl)-N-propan-2-ylcyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-N-propan-2-ylcyclopent-3-ene-1-carboxamide (CID 64767188) is N-(3-hydroxypropyl)-N-propan-2-ylcyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-propan-2-ylcyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-propan-2-ylcyclopent-3-ene-1-carboxamide is CC(C)N(CCCO)C(=O)C1CC=CC1.
What is the InChIKey of N-(3-hydroxypropyl)-N-propan-2-ylcyclopent-3-ene-1-carboxamide?
The InChIKey is QTTQCNWAGRLVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(2)13(8-5-9-14)12(15)11-6-3-4-7-11/h3-4,10-11,14H,5-9H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-N-propan-2-ylcyclopent-3-ene-1-carboxamide?
N-(3-hydroxypropyl)-N-propan-2-ylcyclopent-3-ene-1-carboxamide has a molecular weight of 211.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-propan-2-ylcyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 64767188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).