2-(propylideneamino)prop-2-enenitrile

C6H8N2 — CID 90933430

IUPAC2-(propylideneamino)prop-2-enenitrile
SMILESC=C(C#N)/N=C/CC
InChIInChI=1S/C6H8N2/c1-3-4-8-6(2)5-7/h4H,2-3H2,1H3/b8-4+
InChIKeyBSIWIEOHTOIGBW-XBXARRHUSA-N
MW108.14 g/mol
LogP1.50
Rot. Bonds2

About 2-(propylideneamino)prop-2-enenitrile

2-(propylideneamino)prop-2-enenitrile (PubChem CID 90933430) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 2-(propylideneamino)prop-2-enenitrile.

Molecular Properties

Compound Name2-(propylideneamino)prop-2-enenitrile
PubChem CID90933430
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name2-(propylideneamino)prop-2-enenitrile
SMILESC=C(C#N)/N=C/CC
InChIInChI=1S/C6H8N2/c1-3-4-8-6(2)5-7/h4H,2-3H2,1H3/b8-4+
InChIKeyBSIWIEOHTOIGBW-XBXARRHUSA-N
XLogP1.50
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylideneamino)prop-2-enenitrile
CID 145493819
N-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine
CID 123701071
N-penta-1,3,4-trien-2-ylpropan-1-imine
CID 123516148
1,3-di(propylidene)guanidine
CID 174857851
N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-imine
CID 123498961
ethene;2-methylidenebutanenitrile
CID 139503600
2-[2-[4-(2-propylcyclopentyl)phenyl]prop-2-enylideneamino]prop-2-enenitrile
CID 139381670
2-(methylideneamino)prop-2-enenitrile
CID 86449523
2-[2-(3-fluoro-2,4-dimethylphenyl)prop-2-enylideneamino]prop-2-enenitrile
CID 139381880
propylidenethiourea
CID 57195256
N-[(E)-pent-2-en-2-yl]propan-1-imine
CID 147192367
methyl 4-[3-(1-cyanoethenylimino)prop-1-en-2-yl]benzoate
CID 139381667

Frequently Asked Questions

What is the IUPAC name of 2-(propylideneamino)prop-2-enenitrile?
The IUPAC name of 2-(propylideneamino)prop-2-enenitrile (CID 90933430) is 2-(propylideneamino)prop-2-enenitrile.
What is the SMILES notation for 2-(propylideneamino)prop-2-enenitrile?
The canonical SMILES for 2-(propylideneamino)prop-2-enenitrile is C=C(C#N)/N=C/CC.
What is the InChIKey of 2-(propylideneamino)prop-2-enenitrile?
The InChIKey is BSIWIEOHTOIGBW-XBXARRHUSA-N. The full InChI is InChI=1S/C6H8N2/c1-3-4-8-6(2)5-7/h4H,2-3H2,1H3/b8-4+.
What are the key properties of 2-(propylideneamino)prop-2-enenitrile?
2-(propylideneamino)prop-2-enenitrile has a molecular weight of 108.14 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylideneamino)prop-2-enenitrile is sourced from PubChem (CID 90933430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).