2-[(1S)-cyclopent-2-en-1-yl]-N-quinolin-2-ylacetamide

C16H16N2O — CID 52524469

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-N-quinolin-2-ylacetamide
SMILESO=C(C[C@H]1C=CCC1)Nc1ccc2ccccc2n1
InChIInChI=1S/C16H16N2O/c19-16(11-12-5-1-2-6-12)18-15-10-9-13-7-3-4-8-14(13)17-15/h1,3-5,7-10,12H,2,6,11H2,(H,17,18,19)/t12-/m0/s1
InChIKeyHEBOIFONFYWQNY-LBPRGKRZSA-N
MW252.32 g/mol
LogP3.53
Rot. Bonds3

About 2-[(1S)-cyclopent-2-en-1-yl]-N-quinolin-2-ylacetamide

2-[(1S)-cyclopent-2-en-1-yl]-N-quinolin-2-ylacetamide (PubChem CID 52524469) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-N-quinolin-2-ylacetamide.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-N-quinolin-2-ylacetamide
PubChem CID52524469
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-N-quinolin-2-ylacetamide
SMILESO=C(C[C@H]1C=CCC1)Nc1ccc2ccccc2n1
InChIInChI=1S/C16H16N2O/c19-16(11-12-5-1-2-6-12)18-15-10-9-13-7-3-4-8-14(13)17-15/h1,3-5,7-10,12H,2,6,11H2,(H,17,18,19)/t12-/m0/s1
InChIKeyHEBOIFONFYWQNY-LBPRGKRZSA-N
XLogP3.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.53
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-benzo[e][1,3]benzothiazol-2-yl-2-cyclopent-2-en-1-ylacetamide
CID 46820966
N-(2-aminophenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 51714392
2-amino-N-quinolin-2-ylacetamide
CID 54505370
2-(cyclopropylmethoxy)-N-quinolin-2-ylacetamide
CID 51081116
N-quinolin-2-ylcyclopentanecarboxamide
CID 39959364
2-cyclopent-2-en-1-yl-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]acetamide
CID 24599608
2-[(1R)-cyclohex-2-en-1-yl]-N-phenylacetamide
CID 102462286
2-[(1S)-cyclopent-2-en-1-yl]-N-(2-methylsulfonylphenyl)acetamide
CID 51929140
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-[(1R)-cyclopent-2-en-1-yl]acetohydrazide
CID 9326033
2-[(1S)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide
CID 94813097
2-[(1R)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide
CID 94813098
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-quinolin-2-ylacetamide
CID 94820253

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-quinolin-2-ylacetamide?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-quinolin-2-ylacetamide (CID 52524469) is 2-[(1S)-cyclopent-2-en-1-yl]-N-quinolin-2-ylacetamide.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-N-quinolin-2-ylacetamide?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-N-quinolin-2-ylacetamide is O=C(C[C@H]1C=CCC1)Nc1ccc2ccccc2n1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-N-quinolin-2-ylacetamide?
The InChIKey is HEBOIFONFYWQNY-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16N2O/c19-16(11-12-5-1-2-6-12)18-15-10-9-13-7-3-4-8-14(13)17-15/h1,3-5,7-10,12H,2,6,11H2,(H,17,18,19)/t12-/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-N-quinolin-2-ylacetamide?
2-[(1S)-cyclopent-2-en-1-yl]-N-quinolin-2-ylacetamide has a molecular weight of 252.32 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-N-quinolin-2-ylacetamide is sourced from PubChem (CID 52524469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).