(3Z,5Z)-7-imino-5,6-dimethylhepta-3,5-dien-2-ol

C9H15NO — CID 142150429

IUPAC(3Z,5Z)-7-imino-5,6-dimethylhepta-3,5-dien-2-ol
SMILES[H]/N=C/C(C)=C(C)\C=C/C(C)O
InChIInChI=1S/C9H15NO/c1-7(8(2)6-10)4-5-9(3)11/h4-6,9-11H,1-3H3/b5-4-,8-7-,10-6+
InChIKeySWNYYJRNUOZVAT-VGEZGYKQSA-N
MW153.22 g/mol
LogP1.91
Rot. Bonds3

About (3Z,5Z)-7-imino-5,6-dimethylhepta-3,5-dien-2-ol

(3Z,5Z)-7-imino-5,6-dimethylhepta-3,5-dien-2-ol (PubChem CID 142150429) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3Z,5Z)-7-imino-5,6-dimethylhepta-3,5-dien-2-ol.

Molecular Properties

Compound Name(3Z,5Z)-7-imino-5,6-dimethylhepta-3,5-dien-2-ol
PubChem CID142150429
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3Z,5Z)-7-imino-5,6-dimethylhepta-3,5-dien-2-ol
SMILES[H]/N=C/C(C)=C(C)\C=C/C(C)O
InChIInChI=1S/C9H15NO/c1-7(8(2)6-10)4-5-9(3)11/h4-6,9-11H,1-3H3/b5-4-,8-7-,10-6+
InChIKeySWNYYJRNUOZVAT-VGEZGYKQSA-N
XLogP1.91
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Iminoethylidene)cyclohexa-2,5-dienol
CID 145707114
(3Z,6Z)-9-imino-5,5,8,8-tetramethylnona-3,6-dien-2-ol
CID 88057678
(4E,6Z)-4-methanimidoylocta-4,6-dien-3-ol
CID 89771739
(4E)-4-methanimidoyl-7-methylocta-4,6-dien-3-ol
CID 89771742
(2E,4E)-2-ethyl-6-iminohexa-2,4-dien-1-ol
CID 118494869
(2E,4Z)-6-methanimidoyl-2-methoxyhepta-2,4,6-trien-1-ol
CID 118600849
4-(Methyliminomethyl)cyclohexa-2,4-dien-1-ol
CID 123677955
(2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol
CID 126695369
(2Z,4E)-4-methanimidoylhexa-2,4-dien-1-ol
CID 131998269
(Z,2E)-2-ethylidene-5-iminopent-3-en-1-ol
CID 137399864
(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-ol
CID 138508447
(3Z)-3-methanimidoyl-5-methylidenehepta-1,3-dien-2-ol
CID 142016028

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-7-imino-5,6-dimethylhepta-3,5-dien-2-ol?
The IUPAC name of (3Z,5Z)-7-imino-5,6-dimethylhepta-3,5-dien-2-ol (CID 142150429) is (3Z,5Z)-7-imino-5,6-dimethylhepta-3,5-dien-2-ol.
What is the SMILES notation for (3Z,5Z)-7-imino-5,6-dimethylhepta-3,5-dien-2-ol?
The canonical SMILES for (3Z,5Z)-7-imino-5,6-dimethylhepta-3,5-dien-2-ol is [H]/N=C/C(C)=C(C)\C=C/C(C)O.
What is the InChIKey of (3Z,5Z)-7-imino-5,6-dimethylhepta-3,5-dien-2-ol?
The InChIKey is SWNYYJRNUOZVAT-VGEZGYKQSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(8(2)6-10)4-5-9(3)11/h4-6,9-11H,1-3H3/b5-4-,8-7-,10-6+.
What are the key properties of (3Z,5Z)-7-imino-5,6-dimethylhepta-3,5-dien-2-ol?
(3Z,5Z)-7-imino-5,6-dimethylhepta-3,5-dien-2-ol has a molecular weight of 153.22 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-7-imino-5,6-dimethylhepta-3,5-dien-2-ol is sourced from PubChem (CID 142150429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).