(Z)-3-amino-2-methylpent-2-enenitrile

C6H10N2 — CID 55284024

IUPAC(Z)-3-amino-2-methylpent-2-enenitrile
SMILESCC/C(N)=C(\C)C#N
InChIInChI=1S/C6H10N2/c1-3-6(8)5(2)4-7/h3,8H2,1-2H3/b6-5-
InChIKeyVPFGWBGYONWGNJ-WAYWQWQTSA-N
MW110.16 g/mol
LogP1.15
Rot. Bonds1

About (Z)-3-amino-2-methylpent-2-enenitrile

(Z)-3-amino-2-methylpent-2-enenitrile (PubChem CID 55284024) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (Z)-3-amino-2-methylpent-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-amino-2-methylpent-2-enenitrile
PubChem CID55284024
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(Z)-3-amino-2-methylpent-2-enenitrile
SMILESCC/C(N)=C(\C)C#N
InChIInChI=1S/C6H10N2/c1-3-6(8)5(2)4-7/h3,8H2,1-2H3/b6-5-
InChIKeyVPFGWBGYONWGNJ-WAYWQWQTSA-N
XLogP1.15
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.15
H-Bond Donors ≤ 51
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 (Z)-3-amino-2-methylpent-2-enenitrile?
The IUPAC name of (Z)-3-amino-2-methylpent-2-enenitrile (CID 55284024) is (Z)-3-amino-2-methylpent-2-enenitrile.
What is the SMILES notation for (Z)-3-amino-2-methylpent-2-enenitrile?
The canonical SMILES for (Z)-3-amino-2-methylpent-2-enenitrile is CC/C(N)=C(\C)C#N.
What is the InChIKey of (Z)-3-amino-2-methylpent-2-enenitrile?
The InChIKey is VPFGWBGYONWGNJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-6(8)5(2)4-7/h3,8H2,1-2H3/b6-5-.
What are the key properties of (Z)-3-amino-2-methylpent-2-enenitrile?
(Z)-3-amino-2-methylpent-2-enenitrile has a molecular weight of 110.16 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-methylpent-2-enenitrile is sourced from PubChem (CID 55284024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).