formonitrile;oxepan-2-one

C7H11NO2 — CID 174857419

IUPACformonitrile;oxepan-2-one
SMILESC#N.O=C1CCCCCO1
InChIInChI=1S/C6H10O2.CHN/c7-6-4-2-1-3-5-8-6;1-2/h1-5H2;1H
InChIKeyGKDYDLZBOVOYNQ-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.24
Rot. Bonds

About formonitrile;oxepan-2-one

formonitrile;oxepan-2-one (PubChem CID 174857419) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is formonitrile;oxepan-2-one.

Molecular Properties

Compound Nameformonitrile;oxepan-2-one
PubChem CID174857419
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Nameformonitrile;oxepan-2-one
SMILESC#N.O=C1CCCCCO1
InChIInChI=1S/C6H10O2.CHN/c7-6-4-2-1-3-5-8-6;1-2/h1-5H2;1H
InChIKeyGKDYDLZBOVOYNQ-UHFFFAOYSA-N
XLogP1.24
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of formonitrile;oxepan-2-one?
The IUPAC name of formonitrile;oxepan-2-one (CID 174857419) is formonitrile;oxepan-2-one.
What is the SMILES notation for formonitrile;oxepan-2-one?
The canonical SMILES for formonitrile;oxepan-2-one is C#N.O=C1CCCCCO1.
What is the InChIKey of formonitrile;oxepan-2-one?
The InChIKey is GKDYDLZBOVOYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.CHN/c7-6-4-2-1-3-5-8-6;1-2/h1-5H2;1H.
What are the key properties of formonitrile;oxepan-2-one?
formonitrile;oxepan-2-one has a molecular weight of 141.17 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formonitrile;oxepan-2-one is sourced from PubChem (CID 174857419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).