4-[(2-methyloxolan-3-yl)amino]benzonitrile

C12H14N2O — CID 82726591

IUPAC4-[(2-methyloxolan-3-yl)amino]benzonitrile
SMILESCC1OCCC1Nc1ccc(C#N)cc1
InChIInChI=1S/C12H14N2O/c1-9-12(6-7-15-9)14-11-4-2-10(8-13)3-5-11/h2-5,9,12,14H,6-7H2,1H3
InChIKeyYJOVYUDCYPWZRJ-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.15
Rot. Bonds2

About 4-[(2-methyloxolan-3-yl)amino]benzonitrile

4-[(2-methyloxolan-3-yl)amino]benzonitrile (PubChem CID 82726591) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-[(2-methyloxolan-3-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-[(2-methyloxolan-3-yl)amino]benzonitrile
PubChem CID82726591
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-[(2-methyloxolan-3-yl)amino]benzonitrile
SMILESCC1OCCC1Nc1ccc(C#N)cc1
InChIInChI=1S/C12H14N2O/c1-9-12(6-7-15-9)14-11-4-2-10(8-13)3-5-11/h2-5,9,12,14H,6-7H2,1H3
InChIKeyYJOVYUDCYPWZRJ-UHFFFAOYSA-N
XLogP2.15
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine
CID 97358491
4-[(2-methylcyclohexyl)amino]benzonitrile
CID 43178854
4-cyano-N-(2-methyloxolan-3-yl)benzamide
CID 82729229
N-[4-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
CID 82716841
2-chloro-6-[(2-methyloxolan-3-yl)amino]pyridine-4-carbonitrile
CID 83076352
4-[(2,3-dimethylcyclohexyl)amino]benzonitrile
CID 43079582
4-[2-[[(2R,3S)-2-methyloxolan-3-yl]amino]ethoxy]benzonitrile
CID 97101796
4-[1-hydroxy-2-[(2-methyloxolan-3-yl)amino]ethyl]benzonitrile
CID 82726281
4-(oxan-4-ylamino)benzonitrile
CID 43608433
(2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine
CID 97358475
4-[(2-hydroxycyclohexyl)amino]benzonitrile
CID 60884623
N-[4-[(2-methyloxolan-3-yl)amino]phenyl]propanamide
CID 82726862

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyloxolan-3-yl)amino]benzonitrile?
The IUPAC name of 4-[(2-methyloxolan-3-yl)amino]benzonitrile (CID 82726591) is 4-[(2-methyloxolan-3-yl)amino]benzonitrile.
What is the SMILES notation for 4-[(2-methyloxolan-3-yl)amino]benzonitrile?
The canonical SMILES for 4-[(2-methyloxolan-3-yl)amino]benzonitrile is CC1OCCC1Nc1ccc(C#N)cc1.
What is the InChIKey of 4-[(2-methyloxolan-3-yl)amino]benzonitrile?
The InChIKey is YJOVYUDCYPWZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-12(6-7-15-9)14-11-4-2-10(8-13)3-5-11/h2-5,9,12,14H,6-7H2,1H3.
What are the key properties of 4-[(2-methyloxolan-3-yl)amino]benzonitrile?
4-[(2-methyloxolan-3-yl)amino]benzonitrile has a molecular weight of 202.26 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyloxolan-3-yl)amino]benzonitrile is sourced from PubChem (CID 82726591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).