(Z)-4-methylidenehex-2-en-1-imine;prop-1-en-1-ol

C10H17NO — CID 143048025

IUPAC(Z)-4-methylidenehex-2-en-1-imine;prop-1-en-1-ol
SMILESCC=CO.[H]/N=C/C=C\C(=C)CC
InChIInChI=1S/C7H11N.C3H6O/c1-3-7(2)5-4-6-8;1-2-3-4/h4-6,8H,2-3H2,1H3;2-4H,1H3/b5-4-,8-6+;
InChIKeyIAQHMVAOWGPPCG-NLAQHMENSA-N
MW167.25 g/mol
LogP3.24
Rot. Bonds3

About (Z)-4-methylidenehex-2-en-1-imine;prop-1-en-1-ol

(Z)-4-methylidenehex-2-en-1-imine;prop-1-en-1-ol (PubChem CID 143048025) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (Z)-4-methylidenehex-2-en-1-imine;prop-1-en-1-ol.

Molecular Properties

Compound Name(Z)-4-methylidenehex-2-en-1-imine;prop-1-en-1-ol
PubChem CID143048025
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(Z)-4-methylidenehex-2-en-1-imine;prop-1-en-1-ol
SMILESCC=CO.[H]/N=C/C=C\C(=C)CC
InChIInChI=1S/C7H11N.C3H6O/c1-3-7(2)5-4-6-8;1-2-3-4/h4-6,8H,2-3H2,1H3;2-4H,1H3/b5-4-,8-6+;
InChIKeyIAQHMVAOWGPPCG-NLAQHMENSA-N
XLogP3.24
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 53.24
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'}

Analyze (Z)-4-methylidenehex-2-en-1-imine;prop-1-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2E,4E)-3,7-dimethylocta-2,4,6-trienylidene]amino]ethanol
CID 60138495
2-(3,7-Dimethylocta-2,4,6-trienylideneamino)ethanol
CID 72660200
(2E,4E)-2-ethyl-6-iminohexa-2,4-dien-1-ol
CID 118494869
[(2Z)-3-ethyl-5-methoxyperoxypenta-2,4-dienylidene]azanium
CID 143200718
ethane;(Z)-3-ethenyl-5-methyliminopent-3-en-1-ol
CID 144233304
ethane;(2E,4Z,6Z)-5-ethenyl-4-methanimidoylocta-2,4,6-trien-2-ol
CID 144863616
ethane;(2Z,5Z,9Z)-5-[(Z)-2-methoxyethenyl]-7,8-dimethylidenedodeca-2,5,9,11-tetraen-1-imine
CID 145387084
ethane;(Z)-6-methoxy-4-methylidenehex-2-en-1-imine
CID 145479444
(2Z,5E)-5-ethenyl-7-ethylimino-4-methylidenehepta-2,5-dien-1-ol
CID 142897749
(2Z)-3-ethyl-5-methoxyperoxypenta-2,4-dien-1-imine
CID 143200719
(2Z,4Z)-4-(methoxymethylidene)-5-methylhexa-2,5-dien-1-imine
CID 143458330
(2Z,5Z,9Z)-5-[(Z)-2-methoxyethenyl]-7,8-dimethylidenedodeca-2,5,9,11-tetraen-1-imine
CID 145387085

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methylidenehex-2-en-1-imine;prop-1-en-1-ol?
The IUPAC name of (Z)-4-methylidenehex-2-en-1-imine;prop-1-en-1-ol (CID 143048025) is (Z)-4-methylidenehex-2-en-1-imine;prop-1-en-1-ol.
What is the SMILES notation for (Z)-4-methylidenehex-2-en-1-imine;prop-1-en-1-ol?
The canonical SMILES for (Z)-4-methylidenehex-2-en-1-imine;prop-1-en-1-ol is CC=CO.[H]/N=C/C=C\C(=C)CC.
What is the InChIKey of (Z)-4-methylidenehex-2-en-1-imine;prop-1-en-1-ol?
The InChIKey is IAQHMVAOWGPPCG-NLAQHMENSA-N. The full InChI is InChI=1S/C7H11N.C3H6O/c1-3-7(2)5-4-6-8;1-2-3-4/h4-6,8H,2-3H2,1H3;2-4H,1H3/b5-4-,8-6+;.
What are the key properties of (Z)-4-methylidenehex-2-en-1-imine;prop-1-en-1-ol?
(Z)-4-methylidenehex-2-en-1-imine;prop-1-en-1-ol has a molecular weight of 167.25 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methylidenehex-2-en-1-imine;prop-1-en-1-ol is sourced from PubChem (CID 143048025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).