(E)-2,3-bis(dimethylamino)prop-2-enenitrile

C7H13N3 — CID 23240669

IUPAC(E)-2,3-bis(dimethylamino)prop-2-enenitrile
SMILESCN(C)/C=C(\C#N)N(C)C
InChIInChI=1S/C7H13N3/c1-9(2)6-7(5-8)10(3)4/h6H,1-4H3/b7-6+
InChIKeyLIBSIINQXMZXTA-VOTSOKGWSA-N
MW139.20 g/mol
LogP0.47
Rot. Bonds2

About (E)-2,3-bis(dimethylamino)prop-2-enenitrile

(E)-2,3-bis(dimethylamino)prop-2-enenitrile (PubChem CID 23240669) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (E)-2,3-bis(dimethylamino)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-2,3-bis(dimethylamino)prop-2-enenitrile
PubChem CID23240669
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(E)-2,3-bis(dimethylamino)prop-2-enenitrile
SMILESCN(C)/C=C(\C#N)N(C)C
InChIInChI=1S/C7H13N3/c1-9(2)6-7(5-8)10(3)4/h6H,1-4H3/b7-6+
InChIKeyLIBSIINQXMZXTA-VOTSOKGWSA-N
XLogP0.47
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(Dimethylamino)acrylonitrile
CID 5324735
Acrylonitrile, 3-(dimethylamino)-(7CI,8CI)
CID 6436777
3-(Dimethylamino)prop-2-enenitrile
CID 97497
[(Z)-2-cyanoethenyl]-trimethylazanium
CID 13549594
Dimethylaminoacrylonitrile
CID 12896101
2-(Diethylamino)prop-2-enenitrile
CID 21469938
2-(Dimethylamino)but-2-enenitrile
CID 54303150
(E)-1-isocyano-N,N-dimethylprop-1-en-2-amine
CID 59297072
2-Amino-3-(dimethylamino)prop-2-enenitrile
CID 71377638
(Z)-2-(dimethylamino)but-2-enenitrile
CID 88699041
(E)-3-(dimethylamino)-2-isocyanoprop-2-enenitrile
CID 123365352
[(E)-2-(dimethylamino)prop-1-enyl]-methylazanide
CID 140831028

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-bis(dimethylamino)prop-2-enenitrile?
The IUPAC name of (E)-2,3-bis(dimethylamino)prop-2-enenitrile (CID 23240669) is (E)-2,3-bis(dimethylamino)prop-2-enenitrile.
What is the SMILES notation for (E)-2,3-bis(dimethylamino)prop-2-enenitrile?
The canonical SMILES for (E)-2,3-bis(dimethylamino)prop-2-enenitrile is CN(C)/C=C(\C#N)N(C)C.
What is the InChIKey of (E)-2,3-bis(dimethylamino)prop-2-enenitrile?
The InChIKey is LIBSIINQXMZXTA-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H13N3/c1-9(2)6-7(5-8)10(3)4/h6H,1-4H3/b7-6+.
What are the key properties of (E)-2,3-bis(dimethylamino)prop-2-enenitrile?
(E)-2,3-bis(dimethylamino)prop-2-enenitrile has a molecular weight of 139.20 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-bis(dimethylamino)prop-2-enenitrile is sourced from PubChem (CID 23240669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).