(Z)-3-[(Z)-2-(ethylideneamino)ethenyl]pent-3-en-2-one

C9H13NO — CID 129215887

IUPAC(Z)-3-[(Z)-2-(ethylideneamino)ethenyl]pent-3-en-2-one
SMILESC/C=C(/C=C\N=C\C)C(C)=O
InChIInChI=1S/C9H13NO/c1-4-9(8(3)11)6-7-10-5-2/h4-7H,1-3H3/b7-6-,9-4-,10-5+
InChIKeyMXFVVLSPYWDGGU-YXBBTNHQSA-N
MW151.21 g/mol
LogP2.13
Rot. Bonds3

About (Z)-3-[(Z)-2-(ethylideneamino)ethenyl]pent-3-en-2-one

(Z)-3-[(Z)-2-(ethylideneamino)ethenyl]pent-3-en-2-one (PubChem CID 129215887) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (Z)-3-[(Z)-2-(ethylideneamino)ethenyl]pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-3-[(Z)-2-(ethylideneamino)ethenyl]pent-3-en-2-one
PubChem CID129215887
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(Z)-3-[(Z)-2-(ethylideneamino)ethenyl]pent-3-en-2-one
SMILESC/C=C(/C=C\N=C\C)C(C)=O
InChIInChI=1S/C9H13NO/c1-4-9(8(3)11)6-7-10-5-2/h4-7H,1-3H3/b7-6-,9-4-,10-5+
InChIKeyMXFVVLSPYWDGGU-YXBBTNHQSA-N
XLogP2.13
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-[(E)-1-fluoro-2-(methylideneamino)ethenyl]pent-3-en-2-one
CID 153377558
1-(2-methoxy-3H-azepin-5-yl)ethanone
CID 13253302
2-fluoro-1-(2-methyl-3H-azepin-5-yl)ethanone
CID 142922885
3-(3H-pyridin-4-ylidene)pentane-2,4-dione
CID 20183370
(5Z,7Z)-3H-azocin-4-one
CID 23128851
3H-azocin-4-one
CID 53825089
(5E,7Z,9E)-3H-azecin-4-one
CID 58797562
[(2Z,4E)-2-acetyl-5-(dimethylamino)penta-2,4-dienylidene]-dimethylazanium
CID 60151624
2-Benzazepin-7-one
CID 67452718
1-(3H-pyridin-4-ylidene)pentane-2,4-dione
CID 70354408
2-(Ethenyliminomethyl)cyclohexa-2,4-dien-1-one
CID 70593679
[2-Acetyl-5-(dimethylamino)penta-2,4-dienylidene]-dimethylazanium
CID 72664842

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(Z)-2-(ethylideneamino)ethenyl]pent-3-en-2-one?
The IUPAC name of (Z)-3-[(Z)-2-(ethylideneamino)ethenyl]pent-3-en-2-one (CID 129215887) is (Z)-3-[(Z)-2-(ethylideneamino)ethenyl]pent-3-en-2-one.
What is the SMILES notation for (Z)-3-[(Z)-2-(ethylideneamino)ethenyl]pent-3-en-2-one?
The canonical SMILES for (Z)-3-[(Z)-2-(ethylideneamino)ethenyl]pent-3-en-2-one is C/C=C(/C=C\N=C\C)C(C)=O.
What is the InChIKey of (Z)-3-[(Z)-2-(ethylideneamino)ethenyl]pent-3-en-2-one?
The InChIKey is MXFVVLSPYWDGGU-YXBBTNHQSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-9(8(3)11)6-7-10-5-2/h4-7H,1-3H3/b7-6-,9-4-,10-5+.
What are the key properties of (Z)-3-[(Z)-2-(ethylideneamino)ethenyl]pent-3-en-2-one?
(Z)-3-[(Z)-2-(ethylideneamino)ethenyl]pent-3-en-2-one has a molecular weight of 151.21 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(Z)-2-(ethylideneamino)ethenyl]pent-3-en-2-one is sourced from PubChem (CID 129215887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).