[[(Z)-hex-3-en-2-ylidene]amino]methanol

C7H13NO — CID 123158679

IUPAC[[(Z)-hex-3-en-2-ylidene]amino]methanol
SMILESCC/C=C\C(C)=NCO
InChIInChI=1S/C7H13NO/c1-3-4-5-7(2)8-6-9/h4-5,9H,3,6H2,1-2H3/b5-4-,8-7?
InChIKeyDGCGICFQWPVJIT-RGZIWBNTSA-N
MW127.19 g/mol
LogP1.36
Rot. Bonds3

About [[(Z)-hex-3-en-2-ylidene]amino]methanol

[[(Z)-hex-3-en-2-ylidene]amino]methanol (PubChem CID 123158679) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is [[(Z)-hex-3-en-2-ylidene]amino]methanol.

Molecular Properties

Compound Name[[(Z)-hex-3-en-2-ylidene]amino]methanol
PubChem CID123158679
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name[[(Z)-hex-3-en-2-ylidene]amino]methanol
SMILESCC/C=C\C(C)=NCO
InChIInChI=1S/C7H13NO/c1-3-4-5-7(2)8-6-9/h4-5,9H,3,6H2,1-2H3/b5-4-,8-7?
InChIKeyDGCGICFQWPVJIT-RGZIWBNTSA-N
XLogP1.36
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [[(Z)-hex-3-en-2-ylidene]amino]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [[(Z)-hex-3-en-2-ylidene]amino]methanol?
The IUPAC name of [[(Z)-hex-3-en-2-ylidene]amino]methanol (CID 123158679) is [[(Z)-hex-3-en-2-ylidene]amino]methanol.
What is the SMILES notation for [[(Z)-hex-3-en-2-ylidene]amino]methanol?
The canonical SMILES for [[(Z)-hex-3-en-2-ylidene]amino]methanol is CC/C=C\C(C)=NCO.
What is the InChIKey of [[(Z)-hex-3-en-2-ylidene]amino]methanol?
The InChIKey is DGCGICFQWPVJIT-RGZIWBNTSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-4-5-7(2)8-6-9/h4-5,9H,3,6H2,1-2H3/b5-4-,8-7?.
What are the key properties of [[(Z)-hex-3-en-2-ylidene]amino]methanol?
[[(Z)-hex-3-en-2-ylidene]amino]methanol has a molecular weight of 127.19 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(Z)-hex-3-en-2-ylidene]amino]methanol is sourced from PubChem (CID 123158679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).