2-cyclopent-2-en-1-yl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide

C13H23NO2 — CID 61040291

IUPAC2-cyclopent-2-en-1-yl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCCO)C(=O)CC1C=CCC1
InChIInChI=1S/C13H23NO2/c1-11(2)14(8-5-9-15)13(16)10-12-6-3-4-7-12/h3,6,11-12,15H,4-5,7-10H2,1-2H3
InChIKeyPMFQAGVMIIZKSH-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.96
Rot. Bonds6

About 2-cyclopent-2-en-1-yl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide

2-cyclopent-2-en-1-yl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide (PubChem CID 61040291) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
PubChem CID61040291
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-cyclopent-2-en-1-yl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCCO)C(=O)CC1C=CCC1
InChIInChI=1S/C13H23NO2/c1-11(2)14(8-5-9-15)13(16)10-12-6-3-4-7-12/h3,6,11-12,15H,4-5,7-10H2,1-2H3
InChIKeyPMFQAGVMIIZKSH-UHFFFAOYSA-N
XLogP1.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-2-cyclopent-2-en-1-yl-N-(3-hydroxypropyl)acetamide
CID 102866471
2-cyclopent-2-en-1-yl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106609792
2-cyclopent-2-en-1-yl-N-cyclopropyl-N-(2-methylpropyl)acetamide
CID 78850541
2-cyclopent-2-en-1-yl-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 75870198
2-cyclopent-2-en-1-yl-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
CID 86833481
methyl 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoate
CID 54943043
2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid
CID 24696738
(2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid
CID 78972953
3-[(2-cyclopent-2-en-1-ylacetyl)-ethylamino]propanoic acid
CID 61007987
N-(3-hydroxypropyl)-N-propan-2-ylpentanamide
CID 61039653
N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 65023347
1-[(1S)-cyclopent-2-en-1-yl]butane-2,3-dione
CID 163985438

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide (CID 61040291) is 2-cyclopent-2-en-1-yl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide is CC(C)N(CCCO)C(=O)CC1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The InChIKey is PMFQAGVMIIZKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11(2)14(8-5-9-15)13(16)10-12-6-3-4-7-12/h3,6,11-12,15H,4-5,7-10H2,1-2H3.
What are the key properties of 2-cyclopent-2-en-1-yl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
2-cyclopent-2-en-1-yl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide has a molecular weight of 225.33 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 61040291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).