(4Z)-6-amino-3-methylidenehepta-4,6-dien-2-one

C8H11NO — CID 134431459

IUPAC(4Z)-6-amino-3-methylidenehepta-4,6-dien-2-one
SMILESC=C(N)/C=C\C(=C)C(C)=O
InChIInChI=1S/C8H11NO/c1-6(8(3)10)4-5-7(2)9/h4-5H,1-2,9H2,3H3/b5-4-
InChIKeyAIWBAZDRJQZCSV-PLNGDYQASA-N
MW137.18 g/mol
LogP1.16
Rot. Bonds3

About (4Z)-6-amino-3-methylidenehepta-4,6-dien-2-one

(4Z)-6-amino-3-methylidenehepta-4,6-dien-2-one (PubChem CID 134431459) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (4Z)-6-amino-3-methylidenehepta-4,6-dien-2-one.

Molecular Properties

Compound Name(4Z)-6-amino-3-methylidenehepta-4,6-dien-2-one
PubChem CID134431459
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(4Z)-6-amino-3-methylidenehepta-4,6-dien-2-one
SMILESC=C(N)/C=C\C(=C)C(C)=O
InChIInChI=1S/C8H11NO/c1-6(8(3)10)4-5-7(2)9/h4-5H,1-2,9H2,3H3/b5-4-
InChIKeyAIWBAZDRJQZCSV-PLNGDYQASA-N
XLogP1.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.16
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

(4Z,6E)-6-amino-3-methylideneocta-4,6-dien-2-one
CID 163875262
(3Z,7Z,11Z)-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine
CID 142405932
(3Z)-5-methylhexa-1,3,5-trien-2-amine
CID 87058792
(Z,2E)-2-ethylidene-5-methylidene-6-oxohept-3-enenitrile
CID 138502287
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
(3Z,7Z)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine;(3Z)-4-propan-2-ylhexa-1,3,5-trien-2-amine
CID 143431934
(Z)-2-methyl-4-methylidene-5-oxohex-2-enethial
CID 156716767
(3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid
CID 142042516
ethane;(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-amine
CID 143072241
(3Z)-5-chlorohexa-1,3,5-trien-2-amine
CID 134351965
(3Z,8Z)-10-methyl-5,7-dimethylideneundeca-1,3,8,10-tetraen-2-amine;molecular hydrogen
CID 143076297
ethane;(3Z,6E)-6-ethyl-5-methylidenenona-1,3,6,8-tetraen-2-amine
CID 142290491

Frequently Asked Questions

What is the IUPAC name of (4Z)-6-amino-3-methylidenehepta-4,6-dien-2-one?
The IUPAC name of (4Z)-6-amino-3-methylidenehepta-4,6-dien-2-one (CID 134431459) is (4Z)-6-amino-3-methylidenehepta-4,6-dien-2-one.
What is the SMILES notation for (4Z)-6-amino-3-methylidenehepta-4,6-dien-2-one?
The canonical SMILES for (4Z)-6-amino-3-methylidenehepta-4,6-dien-2-one is C=C(N)/C=C\C(=C)C(C)=O.
What is the InChIKey of (4Z)-6-amino-3-methylidenehepta-4,6-dien-2-one?
The InChIKey is AIWBAZDRJQZCSV-PLNGDYQASA-N. The full InChI is InChI=1S/C8H11NO/c1-6(8(3)10)4-5-7(2)9/h4-5H,1-2,9H2,3H3/b5-4-.
What are the key properties of (4Z)-6-amino-3-methylidenehepta-4,6-dien-2-one?
(4Z)-6-amino-3-methylidenehepta-4,6-dien-2-one has a molecular weight of 137.18 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-amino-3-methylidenehepta-4,6-dien-2-one is sourced from PubChem (CID 134431459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).