2-(1-iminoprop-1-en-2-yl)-2-methylpropanedinitrile

C7H7N3 — CID 157299809

IUPAC2-(1-iminoprop-1-en-2-yl)-2-methylpropanedinitrile
SMILESCC(=C=N)C(C)(C#N)C#N
InChIInChI=1S/C7H7N3/c1-6(3-8)7(2,4-9)5-10/h8H,1-2H3
InChIKeyKMOBJQRZSQSNQF-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.23
Rot. Bonds1

About 2-(1-iminoprop-1-en-2-yl)-2-methylpropanedinitrile

2-(1-iminoprop-1-en-2-yl)-2-methylpropanedinitrile (PubChem CID 157299809) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-(1-iminoprop-1-en-2-yl)-2-methylpropanedinitrile.

Molecular Properties

Compound Name2-(1-iminoprop-1-en-2-yl)-2-methylpropanedinitrile
PubChem CID157299809
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name2-(1-iminoprop-1-en-2-yl)-2-methylpropanedinitrile
SMILESCC(=C=N)C(C)(C#N)C#N
InChIInChI=1S/C7H7N3/c1-6(3-8)7(2,4-9)5-10/h8H,1-2H3
InChIKeyKMOBJQRZSQSNQF-UHFFFAOYSA-N
XLogP1.23
TPSA71.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-hydroxy-2-methylpropanenitrile
CID 164588960
1-methyl-2-methylidenepentane-1,1,4,4-tetracarbonitrile
CID 10954524
isocyanic acid;2-methylprop-2-enenitrile
CID 172858040
2,2-dimethyl-3-sulfanylidenebutanenitrile
CID 154411588
2-hydroxy-2-methylpropanenitrile;trimethylsilane
CID 174744740
2-hydroxy-2-methylpentanenitrile
CID 10898680
2,2-dichloropropanenitrile
CID 5058831
2-fluoro-2-methylpropanenitrile
CID 10129896
2-deuteriooxy-2-methylpropanenitrile
CID 91131204
2-(2,2-dimethylpropyl)-2-methylpropanedinitrile
CID 158747755
2,2,3,3,4-pentamethylhex-4-enenitrile
CID 87497102
2-(dimethylamino)-2,3-dimethylbut-3-enenitrile
CID 12526686

Frequently Asked Questions

What is the IUPAC name of 2-(1-iminoprop-1-en-2-yl)-2-methylpropanedinitrile?
The IUPAC name of 2-(1-iminoprop-1-en-2-yl)-2-methylpropanedinitrile (CID 157299809) is 2-(1-iminoprop-1-en-2-yl)-2-methylpropanedinitrile.
What is the SMILES notation for 2-(1-iminoprop-1-en-2-yl)-2-methylpropanedinitrile?
The canonical SMILES for 2-(1-iminoprop-1-en-2-yl)-2-methylpropanedinitrile is CC(=C=N)C(C)(C#N)C#N.
What is the InChIKey of 2-(1-iminoprop-1-en-2-yl)-2-methylpropanedinitrile?
The InChIKey is KMOBJQRZSQSNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-6(3-8)7(2,4-9)5-10/h8H,1-2H3.
What are the key properties of 2-(1-iminoprop-1-en-2-yl)-2-methylpropanedinitrile?
2-(1-iminoprop-1-en-2-yl)-2-methylpropanedinitrile has a molecular weight of 133.15 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-iminoprop-1-en-2-yl)-2-methylpropanedinitrile is sourced from PubChem (CID 157299809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).