4-methyl-3-[[(Z)-prop-1-enyl]iminomethyl]hexa-1,3-dien-2-ol

C11H17NO — CID 145217000

IUPAC4-methyl-3-[[(Z)-prop-1-enyl]iminomethyl]hexa-1,3-dien-2-ol
SMILESC=C(O)C(/C=N/C=C\C)=C(C)CC
InChIInChI=1S/C11H17NO/c1-5-7-12-8-11(10(4)13)9(3)6-2/h5,7-8,13H,4,6H2,1-3H3/b7-5-,11-9?,12-8+
InChIKeyZGHRGAWITZTQPD-XVQUKADRSA-N
MW179.26 g/mol
LogP3.39
Rot. Bonds4

About 4-methyl-3-[[(Z)-prop-1-enyl]iminomethyl]hexa-1,3-dien-2-ol

4-methyl-3-[[(Z)-prop-1-enyl]iminomethyl]hexa-1,3-dien-2-ol (PubChem CID 145217000) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-methyl-3-[[(Z)-prop-1-enyl]iminomethyl]hexa-1,3-dien-2-ol.

Molecular Properties

Compound Name4-methyl-3-[[(Z)-prop-1-enyl]iminomethyl]hexa-1,3-dien-2-ol
PubChem CID145217000
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-methyl-3-[[(Z)-prop-1-enyl]iminomethyl]hexa-1,3-dien-2-ol
SMILESC=C(O)C(/C=N/C=C\C)=C(C)CC
InChIInChI=1S/C11H17NO/c1-5-7-12-8-11(10(4)13)9(3)6-2/h5,7-8,13H,4,6H2,1-3H3/b7-5-,11-9?,12-8+
InChIKeyZGHRGAWITZTQPD-XVQUKADRSA-N
XLogP3.39
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
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

ethane;(3E)-3-(ethenyliminomethyl)-1,1,1-trifluoro-2-(trifluoromethyl)hexa-3,5-dien-2-ol
CID 142157346
(3Z)-1,1,1-trifluoro-5-[[(Z)-prop-1-enyl]iminomethyl]hexa-3,5-diene-2,2,4-triol
CID 162586754
(4Z)-4-[[(1E,3Z)-2-hydroxy-3-methanimidoylpenta-1,3-dienyl]iminomethyl]-2-methylhexa-2,4-dien-3-ol
CID 88915912
(4Z)-4-[[[(1Z,3Z)-2-hydroxy-3-(methyliminomethyl)penta-1,3-dienyl]-methylazaniumylidene]methyl]-2-methylhexa-2,4-dien-3-olate
CID 88938119
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
(3E)-4-[[(Z,2E)-2-(aminomethylidene)pent-3-enylidene]amino]penta-1,3-dien-2-ol
CID 134228937
3,5-Dimethylazepin-3-ol
CID 142924601
6,6-Dimethylazepin-4-ol
CID 142985991
(3E)-3-(methyliminomethyl)hexa-3,5-dien-2-ol
CID 143071584
(3E,5Z)-5-[2-[[(2Z)-2-(1-hydroxyethenyl)penta-2,4-dienylidene]amino]ethyliminomethyl]hepta-1,3,5-trien-4-ol
CID 143182631
ethane;(3Z,5E)-5-methanimidoylhepta-1,3,5-trien-2-ol
CID 143193809

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[(Z)-prop-1-enyl]iminomethyl]hexa-1,3-dien-2-ol?
The IUPAC name of 4-methyl-3-[[(Z)-prop-1-enyl]iminomethyl]hexa-1,3-dien-2-ol (CID 145217000) is 4-methyl-3-[[(Z)-prop-1-enyl]iminomethyl]hexa-1,3-dien-2-ol.
What is the SMILES notation for 4-methyl-3-[[(Z)-prop-1-enyl]iminomethyl]hexa-1,3-dien-2-ol?
The canonical SMILES for 4-methyl-3-[[(Z)-prop-1-enyl]iminomethyl]hexa-1,3-dien-2-ol is C=C(O)C(/C=N/C=C\C)=C(C)CC.
What is the InChIKey of 4-methyl-3-[[(Z)-prop-1-enyl]iminomethyl]hexa-1,3-dien-2-ol?
The InChIKey is ZGHRGAWITZTQPD-XVQUKADRSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-7-12-8-11(10(4)13)9(3)6-2/h5,7-8,13H,4,6H2,1-3H3/b7-5-,11-9?,12-8+.
What are the key properties of 4-methyl-3-[[(Z)-prop-1-enyl]iminomethyl]hexa-1,3-dien-2-ol?
4-methyl-3-[[(Z)-prop-1-enyl]iminomethyl]hexa-1,3-dien-2-ol has a molecular weight of 179.26 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[(Z)-prop-1-enyl]iminomethyl]hexa-1,3-dien-2-ol is sourced from PubChem (CID 145217000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).