(4Z)-2-(dimethylamino)-4-ethenylhepta-4,6-dienal

C11H17NO — CID 139456286

IUPAC(4Z)-2-(dimethylamino)-4-ethenylhepta-4,6-dienal
SMILESC=C/C=C(\C=C)CC(C=O)N(C)C
InChIInChI=1S/C11H17NO/c1-5-7-10(6-2)8-11(9-13)12(3)4/h5-7,9,11H,1-2,8H2,3-4H3/b10-7+
InChIKeyLINOJMIHAXFMQR-JXMROGBWSA-N
MW179.26 g/mol
LogP1.80
Rot. Bonds6

About (4Z)-2-(dimethylamino)-4-ethenylhepta-4,6-dienal

(4Z)-2-(dimethylamino)-4-ethenylhepta-4,6-dienal (PubChem CID 139456286) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (4Z)-2-(dimethylamino)-4-ethenylhepta-4,6-dienal.

Molecular Properties

Compound Name(4Z)-2-(dimethylamino)-4-ethenylhepta-4,6-dienal
PubChem CID139456286
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(4Z)-2-(dimethylamino)-4-ethenylhepta-4,6-dienal
SMILESC=C/C=C(\C=C)CC(C=O)N(C)C
InChIInChI=1S/C11H17NO/c1-5-7-10(6-2)8-11(9-13)12(3)4/h5-7,9,11H,1-2,8H2,3-4H3/b10-7+
InChIKeyLINOJMIHAXFMQR-JXMROGBWSA-N
XLogP1.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(dimethylamino)-4-ethenylhepta-4,6-dienal?
The IUPAC name of (4Z)-2-(dimethylamino)-4-ethenylhepta-4,6-dienal (CID 139456286) is (4Z)-2-(dimethylamino)-4-ethenylhepta-4,6-dienal.
What is the SMILES notation for (4Z)-2-(dimethylamino)-4-ethenylhepta-4,6-dienal?
The canonical SMILES for (4Z)-2-(dimethylamino)-4-ethenylhepta-4,6-dienal is C=C/C=C(\C=C)CC(C=O)N(C)C.
What is the InChIKey of (4Z)-2-(dimethylamino)-4-ethenylhepta-4,6-dienal?
The InChIKey is LINOJMIHAXFMQR-JXMROGBWSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-7-10(6-2)8-11(9-13)12(3)4/h5-7,9,11H,1-2,8H2,3-4H3/b10-7+.
What are the key properties of (4Z)-2-(dimethylamino)-4-ethenylhepta-4,6-dienal?
(4Z)-2-(dimethylamino)-4-ethenylhepta-4,6-dienal has a molecular weight of 179.26 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(dimethylamino)-4-ethenylhepta-4,6-dienal is sourced from PubChem (CID 139456286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).