2-(dimethylamino)prop-2-enenitrile

C5H8N2 — CID 12896101

IUPAC2-(dimethylamino)prop-2-enenitrile
SMILESC=C(C#N)N(C)C
InChIInChI=1S/C5H8N2/c1-5(4-6)7(2)3/h1H2,2-3H3
InChIKeyCRNHLPZBBWBNDN-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.59
Rot. Bonds1

About 2-(dimethylamino)prop-2-enenitrile

2-(dimethylamino)prop-2-enenitrile (PubChem CID 12896101) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 2-(dimethylamino)prop-2-enenitrile.

Molecular Properties

Compound Name2-(dimethylamino)prop-2-enenitrile
PubChem CID12896101
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name2-(dimethylamino)prop-2-enenitrile
SMILESC=C(C#N)N(C)C
InChIInChI=1S/C5H8N2/c1-5(4-6)7(2)3/h1H2,2-3H3
InChIKeyCRNHLPZBBWBNDN-UHFFFAOYSA-N
XLogP0.59
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)prop-2-enenitrile?
The IUPAC name of 2-(dimethylamino)prop-2-enenitrile (CID 12896101) is 2-(dimethylamino)prop-2-enenitrile.
What is the SMILES notation for 2-(dimethylamino)prop-2-enenitrile?
The canonical SMILES for 2-(dimethylamino)prop-2-enenitrile is C=C(C#N)N(C)C.
What is the InChIKey of 2-(dimethylamino)prop-2-enenitrile?
The InChIKey is CRNHLPZBBWBNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-5(4-6)7(2)3/h1H2,2-3H3.
What are the key properties of 2-(dimethylamino)prop-2-enenitrile?
2-(dimethylamino)prop-2-enenitrile has a molecular weight of 96.13 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)prop-2-enenitrile is sourced from PubChem (CID 12896101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).