(E)-2-(dimethylamino)pent-3-enenitrile

C7H12N2 — CID 12596888

IUPAC(E)-2-(dimethylamino)pent-3-enenitrile
SMILESC/C=C/C(C#N)N(C)C
InChIInChI=1S/C7H12N2/c1-4-5-7(6-8)9(2)3/h4-5,7H,1-3H3/b5-4+
InChIKeyOOPFLXWMBWABHR-SNAWJCMRSA-N
MW124.19 g/mol
LogP1.02
Rot. Bonds2

About (E)-2-(dimethylamino)pent-3-enenitrile

(E)-2-(dimethylamino)pent-3-enenitrile (PubChem CID 12596888) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (E)-2-(dimethylamino)pent-3-enenitrile.

Molecular Properties

Compound Name(E)-2-(dimethylamino)pent-3-enenitrile
PubChem CID12596888
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(E)-2-(dimethylamino)pent-3-enenitrile
SMILESC/C=C/C(C#N)N(C)C
InChIInChI=1S/C7H12N2/c1-4-5-7(6-8)9(2)3/h4-5,7H,1-3H3/b5-4+
InChIKeyOOPFLXWMBWABHR-SNAWJCMRSA-N
XLogP1.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Pyridinecarbonitrile, 1,2,5,6-tetrahydro-1-methyl-
CID 5323985
N-methylcyanopyridine
CID 422959
(E)-1-N,1-N,4-N,4-N-tetramethylpent-2-ene-1,4-diamine
CID 134994560
trimethyl-[(E)-4-(trimethylazaniumyl)pent-2-enyl]azanium
CID 5744779
[(E)-1-cyanobut-2-enyl]-(cyanomethyl)-dimethylazanium perchlorate
CID 10682999
(6R)-1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile
CID 15939095
1-Methyl-1,2,3,6-tetrahydropyridine-2-carbonitrile
CID 12206948
2-(Diethylamino)but-3-enenitrile
CID 20406635
2-(Dimethylamino)but-3-enenitrile
CID 20406638
1-Methyl-2-cyano-1,2,3,6-tetrahydropyridine hydrochloride
CID 21532598
1-Methyl-2,5-dihydropyrrole-2-carbonitrile
CID 67239709
3-(3,6-dihydro-2H-pyridin-1-yl)butanenitrile
CID 70552032

Frequently Asked Questions

What is the IUPAC name of (E)-2-(dimethylamino)pent-3-enenitrile?
The IUPAC name of (E)-2-(dimethylamino)pent-3-enenitrile (CID 12596888) is (E)-2-(dimethylamino)pent-3-enenitrile.
What is the SMILES notation for (E)-2-(dimethylamino)pent-3-enenitrile?
The canonical SMILES for (E)-2-(dimethylamino)pent-3-enenitrile is C/C=C/C(C#N)N(C)C.
What is the InChIKey of (E)-2-(dimethylamino)pent-3-enenitrile?
The InChIKey is OOPFLXWMBWABHR-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-5-7(6-8)9(2)3/h4-5,7H,1-3H3/b5-4+.
What are the key properties of (E)-2-(dimethylamino)pent-3-enenitrile?
(E)-2-(dimethylamino)pent-3-enenitrile has a molecular weight of 124.19 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(dimethylamino)pent-3-enenitrile is sourced from PubChem (CID 12596888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).