(4Z)-5-amino-4-ethenylhepta-4,6-dien-3-one

C9H13NO — CID 156794356

IUPAC(4Z)-5-amino-4-ethenylhepta-4,6-dien-3-one
SMILESC=C/C(N)=C(\C=C)C(=O)CC
InChIInChI=1S/C9H13NO/c1-4-7(8(10)5-2)9(11)6-3/h4-5H,1-2,6,10H2,3H3/b8-7-
InChIKeyDSGAMVJYLRYRLO-FPLPWBNLSA-N
MW151.21 g/mol
LogP1.55
Rot. Bonds4

About (4Z)-5-amino-4-ethenylhepta-4,6-dien-3-one

(4Z)-5-amino-4-ethenylhepta-4,6-dien-3-one (PubChem CID 156794356) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (4Z)-5-amino-4-ethenylhepta-4,6-dien-3-one.

Molecular Properties

Compound Name(4Z)-5-amino-4-ethenylhepta-4,6-dien-3-one
PubChem CID156794356
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(4Z)-5-amino-4-ethenylhepta-4,6-dien-3-one
SMILESC=C/C(N)=C(\C=C)C(=O)CC
InChIInChI=1S/C9H13NO/c1-4-7(8(10)5-2)9(11)6-3/h4-5H,1-2,6,10H2,3H3/b8-7-
InChIKeyDSGAMVJYLRYRLO-FPLPWBNLSA-N
XLogP1.55
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-ethenyl-4-oxo-2-[(Z)-prop-1-enyl]hex-2-enoic acid
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CID 172708986
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disodium;propanamide;propanoate;prop-2-enamide;prop-2-enoate
CID 159964007
[(2Z)-3-amino-2-carbamoylpenta-2,4-dienylidene]-(2-oxopropyl)azanium
CID 143480823
but-1-ene;urea
CID 87757370
(2Z)-3-amino-2-ethylpenta-2,4-diene-1,1,1-triol
CID 139404872
pentane;prop-2-enamide
CID 139391622
acetic acid;(3Z)-4-aminohexa-1,3,5-trien-3-ol
CID 142913066
prop-2-enamide;tetraethylazanium
CID 160757497
2-methylidenepentanamide;prop-2-enamide
CID 157466233
diethyl(dimethyl)azanium;prop-2-enamide
CID 19752026

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-amino-4-ethenylhepta-4,6-dien-3-one?
The IUPAC name of (4Z)-5-amino-4-ethenylhepta-4,6-dien-3-one (CID 156794356) is (4Z)-5-amino-4-ethenylhepta-4,6-dien-3-one.
What is the SMILES notation for (4Z)-5-amino-4-ethenylhepta-4,6-dien-3-one?
The canonical SMILES for (4Z)-5-amino-4-ethenylhepta-4,6-dien-3-one is C=C/C(N)=C(\C=C)C(=O)CC.
What is the InChIKey of (4Z)-5-amino-4-ethenylhepta-4,6-dien-3-one?
The InChIKey is DSGAMVJYLRYRLO-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-7(8(10)5-2)9(11)6-3/h4-5H,1-2,6,10H2,3H3/b8-7-.
What are the key properties of (4Z)-5-amino-4-ethenylhepta-4,6-dien-3-one?
(4Z)-5-amino-4-ethenylhepta-4,6-dien-3-one has a molecular weight of 151.21 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-amino-4-ethenylhepta-4,6-dien-3-one is sourced from PubChem (CID 156794356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).