(2E,4Z)-4-methanimidoyl-6-methylhepta-2,4,6-trien-3-ol

C9H13NO — CID 143341071

IUPAC(2E,4Z)-4-methanimidoyl-6-methylhepta-2,4,6-trien-3-ol
SMILES[H]/N=C/C(=C/C(=C)C)/C(O)=C\C
InChIInChI=1S/C9H13NO/c1-4-9(11)8(6-10)5-7(2)3/h4-6,10-11H,2H2,1,3H3/b8-5-,9-4+,10-6+
InChIKeyMDHGIYUEYNTNRZ-JJPAHEMCSA-N
MW151.21 g/mol
LogP2.60
Rot. Bonds3

About (2E,4Z)-4-methanimidoyl-6-methylhepta-2,4,6-trien-3-ol

(2E,4Z)-4-methanimidoyl-6-methylhepta-2,4,6-trien-3-ol (PubChem CID 143341071) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (2E,4Z)-4-methanimidoyl-6-methylhepta-2,4,6-trien-3-ol.

Molecular Properties

Compound Name(2E,4Z)-4-methanimidoyl-6-methylhepta-2,4,6-trien-3-ol
PubChem CID143341071
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(2E,4Z)-4-methanimidoyl-6-methylhepta-2,4,6-trien-3-ol
SMILES[H]/N=C/C(=C/C(=C)C)/C(O)=C\C
InChIInChI=1S/C9H13NO/c1-4-9(11)8(6-10)5-7(2)3/h4-6,10-11H,2H2,1,3H3/b8-5-,9-4+,10-6+
InChIKeyMDHGIYUEYNTNRZ-JJPAHEMCSA-N
XLogP2.60
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-[[(1E,3Z)-2-hydroxy-3-methanimidoylpenta-1,3-dienyl]iminomethyl]-2-methylhexa-2,4-dien-3-ol
CID 88915912
(4E,6Z)-4-methanimidoylocta-4,6-dien-3-ol
CID 89771739
(4E)-4-methanimidoyl-7-methylocta-4,6-dien-3-ol
CID 89771742
ethane;[(Z)-2-[2-[[(2Z)-2-ethylidene-3-hydroxy-4-methylpent-3-enylidene]amino]-1-hydroxyethenyl]but-2-enylidene]azanium
CID 123283256
(2Z,4Z,6E,8Z)-3,8-bis(methyliminomethyl)deca-2,4,6,8-tetraene-4,7-diol;ethane
CID 123572869
(2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol
CID 126695369
(4Z,5Z)-4-ethylidene-5-(1-iminopropan-2-ylidene)cyclohexa-2,6-diene-1,2-diol
CID 136594381
(5Z,6E)-6-ethylidene-5-(1-iminopropan-2-ylidene)cyclohexa-1,3-diene-1,2-diol
CID 136594424
(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-ol
CID 138508447
(3Z)-3-methanimidoyl-5-methylidenehepta-1,3-dien-2-ol
CID 142016028
(3Z,5Z)-7-imino-5,6-dimethylhepta-3,5-dien-2-ol
CID 142150429
(2E,4E,7E,9Z)-7-ethyl-1-imino-2-methyl-6-propan-2-ylidenedodeca-2,4,7,9,11-pentaen-4-ol
CID 142350881

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4-methanimidoyl-6-methylhepta-2,4,6-trien-3-ol?
The IUPAC name of (2E,4Z)-4-methanimidoyl-6-methylhepta-2,4,6-trien-3-ol (CID 143341071) is (2E,4Z)-4-methanimidoyl-6-methylhepta-2,4,6-trien-3-ol.
What is the SMILES notation for (2E,4Z)-4-methanimidoyl-6-methylhepta-2,4,6-trien-3-ol?
The canonical SMILES for (2E,4Z)-4-methanimidoyl-6-methylhepta-2,4,6-trien-3-ol is [H]/N=C/C(=C/C(=C)C)/C(O)=C\C.
What is the InChIKey of (2E,4Z)-4-methanimidoyl-6-methylhepta-2,4,6-trien-3-ol?
The InChIKey is MDHGIYUEYNTNRZ-JJPAHEMCSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-9(11)8(6-10)5-7(2)3/h4-6,10-11H,2H2,1,3H3/b8-5-,9-4+,10-6+.
What are the key properties of (2E,4Z)-4-methanimidoyl-6-methylhepta-2,4,6-trien-3-ol?
(2E,4Z)-4-methanimidoyl-6-methylhepta-2,4,6-trien-3-ol has a molecular weight of 151.21 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-methanimidoyl-6-methylhepta-2,4,6-trien-3-ol is sourced from PubChem (CID 143341071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).