(E)-2-[cyanomethyl(methyl)amino]pent-3-enenitrile

C8H11N3 — CID 10844545

IUPAC(E)-2-[cyanomethyl(methyl)amino]pent-3-enenitrile
SMILESC/C=C/C(C#N)N(C)CC#N
InChIInChI=1S/C8H11N3/c1-3-4-8(7-10)11(2)6-5-9/h3-4,8H,6H2,1-2H3/b4-3+
InChIKeyMTWGYZMWVNIOMS-ONEGZZNKSA-N
MW149.20 g/mol
LogP0.91
Rot. Bonds3

About (E)-2-[cyanomethyl(methyl)amino]pent-3-enenitrile

(E)-2-[cyanomethyl(methyl)amino]pent-3-enenitrile (PubChem CID 10844545) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is (E)-2-[cyanomethyl(methyl)amino]pent-3-enenitrile.

Molecular Properties

Compound Name(E)-2-[cyanomethyl(methyl)amino]pent-3-enenitrile
PubChem CID10844545
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name(E)-2-[cyanomethyl(methyl)amino]pent-3-enenitrile
SMILESC/C=C/C(C#N)N(C)CC#N
InChIInChI=1S/C8H11N3/c1-3-4-8(7-10)11(2)6-5-9/h3-4,8H,6H2,1-2H3/b4-3+
InChIKeyMTWGYZMWVNIOMS-ONEGZZNKSA-N
XLogP0.91
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[cyanomethyl(methyl)amino]pent-3-enenitrile?
The IUPAC name of (E)-2-[cyanomethyl(methyl)amino]pent-3-enenitrile (CID 10844545) is (E)-2-[cyanomethyl(methyl)amino]pent-3-enenitrile.
What is the SMILES notation for (E)-2-[cyanomethyl(methyl)amino]pent-3-enenitrile?
The canonical SMILES for (E)-2-[cyanomethyl(methyl)amino]pent-3-enenitrile is C/C=C/C(C#N)N(C)CC#N.
What is the InChIKey of (E)-2-[cyanomethyl(methyl)amino]pent-3-enenitrile?
The InChIKey is MTWGYZMWVNIOMS-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-4-8(7-10)11(2)6-5-9/h3-4,8H,6H2,1-2H3/b4-3+.
What are the key properties of (E)-2-[cyanomethyl(methyl)amino]pent-3-enenitrile?
(E)-2-[cyanomethyl(methyl)amino]pent-3-enenitrile has a molecular weight of 149.20 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[cyanomethyl(methyl)amino]pent-3-enenitrile is sourced from PubChem (CID 10844545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).