butanenitrile;furan

C8H11NO — CID 174806328

IUPACbutanenitrile;furan
SMILESCCCC#N.c1ccoc1
InChIInChI=1S/C4H7N.C4H4O/c1-2-3-4-5;1-2-4-5-3-1/h2-3H2,1H3;1-4H
InChIKeyWNDNDYFJSAFDBS-UHFFFAOYSA-N
MW137.18 g/mol
LogP2.59
Rot. Bonds1

About butanenitrile;furan

butanenitrile;furan (PubChem CID 174806328) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is butanenitrile;furan.

Molecular Properties

Compound Namebutanenitrile;furan
PubChem CID174806328
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Namebutanenitrile;furan
SMILESCCCC#N.c1ccoc1
InChIInChI=1S/C4H7N.C4H4O/c1-2-3-4-5;1-2-4-5-3-1/h2-3H2,1H3;1-4H
InChIKeyWNDNDYFJSAFDBS-UHFFFAOYSA-N
XLogP2.59
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butanenitrile;furan?
The IUPAC name of butanenitrile;furan (CID 174806328) is butanenitrile;furan.
What is the SMILES notation for butanenitrile;furan?
The canonical SMILES for butanenitrile;furan is CCCC#N.c1ccoc1.
What is the InChIKey of butanenitrile;furan?
The InChIKey is WNDNDYFJSAFDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.C4H4O/c1-2-3-4-5;1-2-4-5-3-1/h2-3H2,1H3;1-4H.
What are the key properties of butanenitrile;furan?
butanenitrile;furan has a molecular weight of 137.18 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanenitrile;furan is sourced from PubChem (CID 174806328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).