(E)-3-amino-3-piperidin-1-ylprop-2-enenitrile

C8H13N3 — CID 12708340

IUPAC(E)-3-amino-3-piperidin-1-ylprop-2-enenitrile
SMILESN#C/C=C(\N)N1CCCCC1
InChIInChI=1S/C8H13N3/c9-5-4-8(10)11-6-2-1-3-7-11/h4H,1-3,6-7,10H2/b8-4+
InChIKeyRCTJPJFMHLJBSW-XBXARRHUSA-N
MW151.21 g/mol
LogP0.80
Rot. Bonds1

About (E)-3-amino-3-piperidin-1-ylprop-2-enenitrile

(E)-3-amino-3-piperidin-1-ylprop-2-enenitrile (PubChem CID 12708340) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is (E)-3-amino-3-piperidin-1-ylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-amino-3-piperidin-1-ylprop-2-enenitrile
PubChem CID12708340
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name(E)-3-amino-3-piperidin-1-ylprop-2-enenitrile
SMILESN#C/C=C(\N)N1CCCCC1
InChIInChI=1S/C8H13N3/c9-5-4-8(10)11-6-2-1-3-7-11/h4H,1-3,6-7,10H2/b8-4+
InChIKeyRCTJPJFMHLJBSW-XBXARRHUSA-N
XLogP0.80
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (E)-3-amino-3-piperidin-1-ylprop-2-enenitrile?
The IUPAC name of (E)-3-amino-3-piperidin-1-ylprop-2-enenitrile (CID 12708340) is (E)-3-amino-3-piperidin-1-ylprop-2-enenitrile.
What is the SMILES notation for (E)-3-amino-3-piperidin-1-ylprop-2-enenitrile?
The canonical SMILES for (E)-3-amino-3-piperidin-1-ylprop-2-enenitrile is N#C/C=C(\N)N1CCCCC1.
What is the InChIKey of (E)-3-amino-3-piperidin-1-ylprop-2-enenitrile?
The InChIKey is RCTJPJFMHLJBSW-XBXARRHUSA-N. The full InChI is InChI=1S/C8H13N3/c9-5-4-8(10)11-6-2-1-3-7-11/h4H,1-3,6-7,10H2/b8-4+.
What are the key properties of (E)-3-amino-3-piperidin-1-ylprop-2-enenitrile?
(E)-3-amino-3-piperidin-1-ylprop-2-enenitrile has a molecular weight of 151.21 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-3-piperidin-1-ylprop-2-enenitrile is sourced from PubChem (CID 12708340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).