2-[(E)-3-(dimethylamino)prop-2-enylidene]propanedinitrile

C8H9N3 — CID 12528286

IUPAC2-[(E)-3-(dimethylamino)prop-2-enylidene]propanedinitrile
SMILESCN(C)/C=C/C=C(C#N)C#N
InChIInChI=1S/C8H9N3/c1-11(2)5-3-4-8(6-9)7-10/h3-5H,1-2H3/b5-3+
InChIKeyCOMHXTNMJANPSM-HWKANZROSA-N
MW147.18 g/mol
LogP1.04
Rot. Bonds2

About 2-[(E)-3-(dimethylamino)prop-2-enylidene]propanedinitrile

2-[(E)-3-(dimethylamino)prop-2-enylidene]propanedinitrile (PubChem CID 12528286) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-[(E)-3-(dimethylamino)prop-2-enylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(E)-3-(dimethylamino)prop-2-enylidene]propanedinitrile
PubChem CID12528286
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name2-[(E)-3-(dimethylamino)prop-2-enylidene]propanedinitrile
SMILESCN(C)/C=C/C=C(C#N)C#N
InChIInChI=1S/C8H9N3/c1-11(2)5-3-4-8(6-9)7-10/h3-5H,1-2H3/b5-3+
InChIKeyCOMHXTNMJANPSM-HWKANZROSA-N
XLogP1.04
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1-Propylpyridin-4-ylidene)ethylidene]propanedinitrile
CID 854221
2-[2-(1-Prop-2-enylpyridin-4-ylidene)ethylidene]propanedinitrile
CID 4343310
Pocpwdmxgmnjjb-snawjcmrsa-
CID 12528280
2-(1-Allylpyridin-2(1 h)-ylidene)malononitrile
CID 124938326
2-(1-Methylpyridin-2-ylidene)propanedinitrile
CID 4139774
N-methyl-3-cyanopyridine
CID 12284558
2-(1-Methyl-4-pyridinylidene)acetonitrile
CID 20307987
(2Z,4E)-5-[bis(2-fluoroethyl)amino]-2-methylpenta-2,4-dienenitrile
CID 117878792
(2E,4E)-5-(dimethylamino)-2-(trifluoromethyl)penta-2,4-dienenitrile
CID 162754087
2-[(E)-3-(diethylamino)prop-2-enylidene]propanedinitrile
CID 5991803
Malonodinitrile, 2-(5-dimethylaminopenta-2,4-dienylideno)-
CID 5374324
(1E)-N,N,4-trimethylpenta-1,3-dien-1-amine
CID 14611150

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-(dimethylamino)prop-2-enylidene]propanedinitrile?
The IUPAC name of 2-[(E)-3-(dimethylamino)prop-2-enylidene]propanedinitrile (CID 12528286) is 2-[(E)-3-(dimethylamino)prop-2-enylidene]propanedinitrile.
What is the SMILES notation for 2-[(E)-3-(dimethylamino)prop-2-enylidene]propanedinitrile?
The canonical SMILES for 2-[(E)-3-(dimethylamino)prop-2-enylidene]propanedinitrile is CN(C)/C=C/C=C(C#N)C#N.
What is the InChIKey of 2-[(E)-3-(dimethylamino)prop-2-enylidene]propanedinitrile?
The InChIKey is COMHXTNMJANPSM-HWKANZROSA-N. The full InChI is InChI=1S/C8H9N3/c1-11(2)5-3-4-8(6-9)7-10/h3-5H,1-2H3/b5-3+.
What are the key properties of 2-[(E)-3-(dimethylamino)prop-2-enylidene]propanedinitrile?
2-[(E)-3-(dimethylamino)prop-2-enylidene]propanedinitrile has a molecular weight of 147.18 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-(dimethylamino)prop-2-enylidene]propanedinitrile is sourced from PubChem (CID 12528286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).