2-[but-2-enyl(cyclopentyl)amino]acetonitrile

C11H18N2 — CID 77037861

IUPAC2-[but-2-enyl(cyclopentyl)amino]acetonitrile
SMILESCC=CCN(CC#N)C1CCCC1
InChIInChI=1S/C11H18N2/c1-2-3-9-13(10-8-12)11-6-4-5-7-11/h2-3,11H,4-7,9-10H2,1H3
InChIKeyWPZRHGZNAGVRMT-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.33
Rot. Bonds4

About 2-[but-2-enyl(cyclopentyl)amino]acetonitrile

2-[but-2-enyl(cyclopentyl)amino]acetonitrile (PubChem CID 77037861) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-[but-2-enyl(cyclopentyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[but-2-enyl(cyclopentyl)amino]acetonitrile
PubChem CID77037861
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-[but-2-enyl(cyclopentyl)amino]acetonitrile
SMILESCC=CCN(CC#N)C1CCCC1
InChIInChI=1S/C11H18N2/c1-2-3-9-13(10-8-12)11-6-4-5-7-11/h2-3,11H,4-7,9-10H2,1H3
InChIKeyWPZRHGZNAGVRMT-UHFFFAOYSA-N
XLogP2.33
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[but-2-enyl(cyclopentyl)amino]acetonitrile?
The IUPAC name of 2-[but-2-enyl(cyclopentyl)amino]acetonitrile (CID 77037861) is 2-[but-2-enyl(cyclopentyl)amino]acetonitrile.
What is the SMILES notation for 2-[but-2-enyl(cyclopentyl)amino]acetonitrile?
The canonical SMILES for 2-[but-2-enyl(cyclopentyl)amino]acetonitrile is CC=CCN(CC#N)C1CCCC1.
What is the InChIKey of 2-[but-2-enyl(cyclopentyl)amino]acetonitrile?
The InChIKey is WPZRHGZNAGVRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-2-3-9-13(10-8-12)11-6-4-5-7-11/h2-3,11H,4-7,9-10H2,1H3.
What are the key properties of 2-[but-2-enyl(cyclopentyl)amino]acetonitrile?
2-[but-2-enyl(cyclopentyl)amino]acetonitrile has a molecular weight of 178.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[but-2-enyl(cyclopentyl)amino]acetonitrile is sourced from PubChem (CID 77037861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).