(2E,4Z)-4-(C,N-dimethylcarbonimidoyl)-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-ol

C12H19NO — CID 130216646

IUPAC(2E,4Z)-4-(C,N-dimethylcarbonimidoyl)-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-ol
SMILESC/C=C\C(=C/C(=C/C)/C(C)=N/C)CO
InChIInChI=1S/C12H19NO/c1-5-7-11(9-14)8-12(6-2)10(3)13-4/h5-8,14H,9H2,1-4H3/b7-5-,11-8+,12-6-,13-10+
InChIKeyLHXHIHJLFTZMCB-DHXBMNPISA-N
MW193.29 g/mol
LogP2.52
Rot. Bonds4

About (2E,4Z)-4-(C,N-dimethylcarbonimidoyl)-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-ol

(2E,4Z)-4-(C,N-dimethylcarbonimidoyl)-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-ol (PubChem CID 130216646) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2E,4Z)-4-(C,N-dimethylcarbonimidoyl)-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4Z)-4-(C,N-dimethylcarbonimidoyl)-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-ol
PubChem CID130216646
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2E,4Z)-4-(C,N-dimethylcarbonimidoyl)-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-ol
SMILESC/C=C\C(=C/C(=C/C)/C(C)=N/C)CO
InChIInChI=1S/C12H19NO/c1-5-7-11(9-14)8-12(6-2)10(3)13-4/h5-8,14H,9H2,1-4H3/b7-5-,11-8+,12-6-,13-10+
InChIKeyLHXHIHJLFTZMCB-DHXBMNPISA-N
XLogP2.52
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.52
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 (2E,4Z)-4-(C,N-dimethylcarbonimidoyl)-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-ol?
The IUPAC name of (2E,4Z)-4-(C,N-dimethylcarbonimidoyl)-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-ol (CID 130216646) is (2E,4Z)-4-(C,N-dimethylcarbonimidoyl)-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-ol.
What is the SMILES notation for (2E,4Z)-4-(C,N-dimethylcarbonimidoyl)-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-ol?
The canonical SMILES for (2E,4Z)-4-(C,N-dimethylcarbonimidoyl)-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-ol is C/C=C\C(=C/C(=C/C)/C(C)=N/C)CO.
What is the InChIKey of (2E,4Z)-4-(C,N-dimethylcarbonimidoyl)-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-ol?
The InChIKey is LHXHIHJLFTZMCB-DHXBMNPISA-N. The full InChI is InChI=1S/C12H19NO/c1-5-7-11(9-14)8-12(6-2)10(3)13-4/h5-8,14H,9H2,1-4H3/b7-5-,11-8+,12-6-,13-10+.
What are the key properties of (2E,4Z)-4-(C,N-dimethylcarbonimidoyl)-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-ol?
(2E,4Z)-4-(C,N-dimethylcarbonimidoyl)-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-(C,N-dimethylcarbonimidoyl)-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-ol is sourced from PubChem (CID 130216646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).