(Z)-4-(naphthalen-2-ylamino)pent-3-en-2-one

C15H15NO — CID 7335849

IUPAC(Z)-4-(naphthalen-2-ylamino)pent-3-en-2-one
SMILESCC(=O)/C=C(/C)Nc1ccc2ccccc2c1
InChIInChI=1S/C15H15NO/c1-11(9-12(2)17)16-15-8-7-13-5-3-4-6-14(13)10-15/h3-10,16H,1-2H3/b11-9-
InChIKeyUVDQODWGRZEDQC-LUAWRHEFSA-N
MW225.29 g/mol
LogP3.74
Rot. Bonds3

About (Z)-4-(naphthalen-2-ylamino)pent-3-en-2-one

(Z)-4-(naphthalen-2-ylamino)pent-3-en-2-one (PubChem CID 7335849) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is (Z)-4-(naphthalen-2-ylamino)pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(naphthalen-2-ylamino)pent-3-en-2-one
PubChem CID7335849
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name(Z)-4-(naphthalen-2-ylamino)pent-3-en-2-one
SMILESCC(=O)/C=C(/C)Nc1ccc2ccccc2c1
InChIInChI=1S/C15H15NO/c1-11(9-12(2)17)16-15-8-7-13-5-3-4-6-14(13)10-15/h3-10,16H,1-2H3/b11-9-
InChIKeyUVDQODWGRZEDQC-LUAWRHEFSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-2-amine
CID 145138026
1-methyl-3-naphthalen-2-ylurea
CID 3454681
N-naphthalen-2-ylcarbamoyl bromide
CID 115193346
N-naphthalen-2-yl-8-oxononanamide
CID 156626701
1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
CID 108894077
4-(naphthalen-2-ylamino)-4-oxobut-2-enoic acid
CID 740391
N-[(2E,4Z)-5-ethyl-6-methylhepta-2,4,6-trien-2-yl]naphthalen-2-amine
CID 145144847
N-anthracen-2-yl-2,2-dimethylpropanamide
CID 19044653
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205
1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea
CID 108884834
4-[(Z)-4,4-dimethylpent-2-en-2-yl]-N-naphthalen-2-ylbenzamide
CID 59811285
1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-2-ylurea
CID 108911462

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(naphthalen-2-ylamino)pent-3-en-2-one?
The IUPAC name of (Z)-4-(naphthalen-2-ylamino)pent-3-en-2-one (CID 7335849) is (Z)-4-(naphthalen-2-ylamino)pent-3-en-2-one.
What is the SMILES notation for (Z)-4-(naphthalen-2-ylamino)pent-3-en-2-one?
The canonical SMILES for (Z)-4-(naphthalen-2-ylamino)pent-3-en-2-one is CC(=O)/C=C(/C)Nc1ccc2ccccc2c1.
What is the InChIKey of (Z)-4-(naphthalen-2-ylamino)pent-3-en-2-one?
The InChIKey is UVDQODWGRZEDQC-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H15NO/c1-11(9-12(2)17)16-15-8-7-13-5-3-4-6-14(13)10-15/h3-10,16H,1-2H3/b11-9-.
What are the key properties of (Z)-4-(naphthalen-2-ylamino)pent-3-en-2-one?
(Z)-4-(naphthalen-2-ylamino)pent-3-en-2-one has a molecular weight of 225.29 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(naphthalen-2-ylamino)pent-3-en-2-one is sourced from PubChem (CID 7335849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).