butanenitrile;ethene;prop-1-ene

C9H17N — CID 134324567

IUPACbutanenitrile;ethene;prop-1-ene
SMILESC=C.C=CC.CCCC#N
InChIInChI=1S/C4H7N.C3H6.C2H4/c1-2-3-4-5;1-3-2;1-2/h2-3H2,1H3;3H,1H2,2H3;1-2H2
InChIKeyAIEIOYZRCLNDJG-UHFFFAOYSA-N
MW139.24 g/mol
LogP3.30
Rot. Bonds1

About butanenitrile;ethene;prop-1-ene

butanenitrile;ethene;prop-1-ene (PubChem CID 134324567) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is butanenitrile;ethene;prop-1-ene.

Molecular Properties

Compound Namebutanenitrile;ethene;prop-1-ene
PubChem CID134324567
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Namebutanenitrile;ethene;prop-1-ene
SMILESC=C.C=CC.CCCC#N
InChIInChI=1S/C4H7N.C3H6.C2H4/c1-2-3-4-5;1-3-2;1-2/h2-3H2,1H3;3H,1H2,2H3;1-2H2
InChIKeyAIEIOYZRCLNDJG-UHFFFAOYSA-N
XLogP3.30
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butanenitrile;ethene;prop-1-ene?
The IUPAC name of butanenitrile;ethene;prop-1-ene (CID 134324567) is butanenitrile;ethene;prop-1-ene.
What is the SMILES notation for butanenitrile;ethene;prop-1-ene?
The canonical SMILES for butanenitrile;ethene;prop-1-ene is C=C.C=CC.CCCC#N.
What is the InChIKey of butanenitrile;ethene;prop-1-ene?
The InChIKey is AIEIOYZRCLNDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.C3H6.C2H4/c1-2-3-4-5;1-3-2;1-2/h2-3H2,1H3;3H,1H2,2H3;1-2H2.
What are the key properties of butanenitrile;ethene;prop-1-ene?
butanenitrile;ethene;prop-1-ene has a molecular weight of 139.24 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butanenitrile;ethene;prop-1-ene is sourced from PubChem (CID 134324567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).