(Z)-3-chloro-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-ol

C7H10ClNO — CID 129267659

IUPAC(Z)-3-chloro-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-ol
SMILESC=N/C=C\C(CO)=C(/C)Cl
InChIInChI=1S/C7H10ClNO/c1-6(8)7(5-10)3-4-9-2/h3-4,10H,2,5H2,1H3/b4-3-,7-6-
InChIKeyOSJGRVXCWBPWME-CWWKMNTPSA-N
MW159.62 g/mol
LogP1.71
Rot. Bonds3

About (Z)-3-chloro-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-ol

(Z)-3-chloro-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-ol (PubChem CID 129267659) has the molecular formula C7H10ClNO and a molecular weight of 159.62 g/mol. Its IUPAC name is (Z)-3-chloro-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-chloro-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-ol
PubChem CID129267659
Molecular FormulaC7H10ClNO
Molecular Weight159.62 g/mol
Exact Mass159.05
IUPAC Name(Z)-3-chloro-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-ol
SMILESC=N/C=C\C(CO)=C(/C)Cl
InChIInChI=1S/C7H10ClNO/c1-6(8)7(5-10)3-4-9-2/h3-4,10H,2,5H2,1H3/b4-3-,7-6-
InChIKeyOSJGRVXCWBPWME-CWWKMNTPSA-N
XLogP1.71
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 51.71
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-ol?
The IUPAC name of (Z)-3-chloro-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-ol (CID 129267659) is (Z)-3-chloro-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-ol.
What is the SMILES notation for (Z)-3-chloro-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-ol?
The canonical SMILES for (Z)-3-chloro-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-ol is C=N/C=C\C(CO)=C(/C)Cl.
What is the InChIKey of (Z)-3-chloro-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-ol?
The InChIKey is OSJGRVXCWBPWME-CWWKMNTPSA-N. The full InChI is InChI=1S/C7H10ClNO/c1-6(8)7(5-10)3-4-9-2/h3-4,10H,2,5H2,1H3/b4-3-,7-6-.
What are the key properties of (Z)-3-chloro-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-ol?
(Z)-3-chloro-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-ol has a molecular weight of 159.62 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-ol is sourced from PubChem (CID 129267659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).