2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-pyridin-4-ylethyl]acetamide

C14H18N2O — CID 34760296

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-pyridin-4-ylethyl]acetamide
SMILESC[C@H](NC(=O)C[C@H]1C=CCC1)c1ccncc1
InChIInChI=1S/C14H18N2O/c1-11(13-6-8-15-9-7-13)16-14(17)10-12-4-2-3-5-12/h2,4,6-9,11-12H,3,5,10H2,1H3,(H,16,17)/t11-,12-/m0/s1
InChIKeyIHNZUSOBQPPTOA-RYUDHWBXSA-N
MW230.31 g/mol
LogP2.62
Rot. Bonds4

About 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-pyridin-4-ylethyl]acetamide

2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-pyridin-4-ylethyl]acetamide (PubChem CID 34760296) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-pyridin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-pyridin-4-ylethyl]acetamide
PubChem CID34760296
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-pyridin-4-ylethyl]acetamide
SMILESC[C@H](NC(=O)C[C@H]1C=CCC1)c1ccncc1
InChIInChI=1S/C14H18N2O/c1-11(13-6-8-15-9-7-13)16-14(17)10-12-4-2-3-5-12/h2,4,6-9,11-12H,3,5,10H2,1H3,(H,16,17)/t11-,12-/m0/s1
InChIKeyIHNZUSOBQPPTOA-RYUDHWBXSA-N
XLogP2.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.62
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

2-[(1R)-cyclopent-2-en-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 30906754
N-[1-(4-cyanophenyl)ethyl]-2-cyclopent-2-en-1-ylacetamide
CID 47161802
2-[(1R)-cyclopent-2-en-1-yl]-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 51938037
2-cyclopent-2-en-1-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 47008759
2-(azetidin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 64616162
2-(azetidin-3-yl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 81409827
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 39271822
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
N-[1-(1-benzofuran-2-yl)ethyl]-2-cyclopent-2-en-1-ylacetamide
CID 51206826
2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 94813254
2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409723

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-pyridin-4-ylethyl]acetamide (CID 34760296) is 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-pyridin-4-ylethyl]acetamide.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-pyridin-4-ylethyl]acetamide is C[C@H](NC(=O)C[C@H]1C=CCC1)c1ccncc1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
The InChIKey is IHNZUSOBQPPTOA-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11(13-6-8-15-9-7-13)16-14(17)10-12-4-2-3-5-12/h2,4,6-9,11-12H,3,5,10H2,1H3,(H,16,17)/t11-,12-/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-pyridin-4-ylethyl]acetamide has a molecular weight of 230.31 g/mol, XLogP of 2.62, 4 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-[(1S)-1-pyridin-4-ylethyl]acetamide is sourced from PubChem (CID 34760296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).