4-(3-phenylprop-2-enoylamino)cyclopent-2-ene-1-carboxylic acid

C15H15NO3 — CID 79209369

IUPAC4-(3-phenylprop-2-enoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(C=Cc1ccccc1)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C15H15NO3/c17-14(9-6-11-4-2-1-3-5-11)16-13-8-7-12(10-13)15(18)19/h1-9,12-13H,10H2,(H,16,17)(H,18,19)
InChIKeyDLQYTPVQLVPKNQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.85
Rot. Bonds4

About 4-(3-phenylprop-2-enoylamino)cyclopent-2-ene-1-carboxylic acid

4-(3-phenylprop-2-enoylamino)cyclopent-2-ene-1-carboxylic acid (PubChem CID 79209369) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(3-phenylprop-2-enoylamino)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-phenylprop-2-enoylamino)cyclopent-2-ene-1-carboxylic acid
PubChem CID79209369
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-(3-phenylprop-2-enoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(C=Cc1ccccc1)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C15H15NO3/c17-14(9-6-11-4-2-1-3-5-11)16-13-8-7-12(10-13)15(18)19/h1-9,12-13H,10H2,(H,16,17)(H,18,19)
InChIKeyDLQYTPVQLVPKNQ-UHFFFAOYSA-N
XLogP1.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-bromophenyl)prop-2-enoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79210064
4-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 115344534
4-[3-(2-fluorophenyl)prop-2-enoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79209352
4-[3-(2,4-dichlorophenyl)prop-2-enoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79192531
3-(3-phenylprop-2-enoylamino)cyclopentane-1-carboxylic acid
CID 77110063
(E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 1334632
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
4-[[(2R)-2-amino-2-phenylacetyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79209810
(E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide
CID 14965451
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 111697011
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
4-[[benzyl(methyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79216968

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylprop-2-enoylamino)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(3-phenylprop-2-enoylamino)cyclopent-2-ene-1-carboxylic acid (CID 79209369) is 4-(3-phenylprop-2-enoylamino)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(3-phenylprop-2-enoylamino)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(3-phenylprop-2-enoylamino)cyclopent-2-ene-1-carboxylic acid is O=C(C=Cc1ccccc1)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-(3-phenylprop-2-enoylamino)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is DLQYTPVQLVPKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-14(9-6-11-4-2-1-3-5-11)16-13-8-7-12(10-13)15(18)19/h1-9,12-13H,10H2,(H,16,17)(H,18,19).
What are the key properties of 4-(3-phenylprop-2-enoylamino)cyclopent-2-ene-1-carboxylic acid?
4-(3-phenylprop-2-enoylamino)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylprop-2-enoylamino)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79209369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).