2-[1-[(2-oxoquinolin-1-yl)methyl]cyclopropyl]acetonitrile

C15H14N2O — CID 65494889

IUPAC2-[1-[(2-oxoquinolin-1-yl)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(Cn2c(=O)ccc3ccccc32)CC1
InChIInChI=1S/C15H14N2O/c16-10-9-15(7-8-15)11-17-13-4-2-1-3-12(13)5-6-14(17)18/h1-6H,7-9,11H2
InChIKeyLQMZHOVAHGHIFO-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.70
Rot. Bonds3

About 2-[1-[(2-oxoquinolin-1-yl)methyl]cyclopropyl]acetonitrile

2-[1-[(2-oxoquinolin-1-yl)methyl]cyclopropyl]acetonitrile (PubChem CID 65494889) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[1-[(2-oxoquinolin-1-yl)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(2-oxoquinolin-1-yl)methyl]cyclopropyl]acetonitrile
PubChem CID65494889
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-[1-[(2-oxoquinolin-1-yl)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(Cn2c(=O)ccc3ccccc32)CC1
InChIInChI=1S/C15H14N2O/c16-10-9-15(7-8-15)11-17-13-4-2-1-3-12(13)5-6-14(17)18/h1-6H,7-9,11H2
InChIKeyLQMZHOVAHGHIFO-UHFFFAOYSA-N
XLogP2.70
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-oxoquinolin-1-yl)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(2-oxoquinolin-1-yl)methyl]cyclopropyl]acetonitrile (CID 65494889) is 2-[1-[(2-oxoquinolin-1-yl)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(2-oxoquinolin-1-yl)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(2-oxoquinolin-1-yl)methyl]cyclopropyl]acetonitrile is N#CCC1(Cn2c(=O)ccc3ccccc32)CC1.
What is the InChIKey of 2-[1-[(2-oxoquinolin-1-yl)methyl]cyclopropyl]acetonitrile?
The InChIKey is LQMZHOVAHGHIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c16-10-9-15(7-8-15)11-17-13-4-2-1-3-12(13)5-6-14(17)18/h1-6H,7-9,11H2.
What are the key properties of 2-[1-[(2-oxoquinolin-1-yl)methyl]cyclopropyl]acetonitrile?
2-[1-[(2-oxoquinolin-1-yl)methyl]cyclopropyl]acetonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-oxoquinolin-1-yl)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65494889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).