4-[3-(oxolan-2-yl)propyl]oxane-4-carbonitrile

C13H21NO2 — CID 65393760

IUPAC4-[3-(oxolan-2-yl)propyl]oxane-4-carbonitrile
SMILESN#CC1(CCCC2CCCO2)CCOCC1
InChIInChI=1S/C13H21NO2/c14-11-13(6-9-15-10-7-13)5-1-3-12-4-2-8-16-12/h12H,1-10H2
InChIKeyGLCDVXKGRJIGEZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.66
Rot. Bonds4

About 4-[3-(oxolan-2-yl)propyl]oxane-4-carbonitrile

4-[3-(oxolan-2-yl)propyl]oxane-4-carbonitrile (PubChem CID 65393760) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[3-(oxolan-2-yl)propyl]oxane-4-carbonitrile.

Molecular Properties

Compound Name4-[3-(oxolan-2-yl)propyl]oxane-4-carbonitrile
PubChem CID65393760
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-[3-(oxolan-2-yl)propyl]oxane-4-carbonitrile
SMILESN#CC1(CCCC2CCCO2)CCOCC1
InChIInChI=1S/C13H21NO2/c14-11-13(6-9-15-10-7-13)5-1-3-12-4-2-8-16-12/h12H,1-10H2
InChIKeyGLCDVXKGRJIGEZ-UHFFFAOYSA-N
XLogP2.66
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3-(oxolan-2-yl)propyl]oxane-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-Isopropyl-4-(3-methylbutyl)tetrahydropyran-4-yl]acetonitrile
CID 3786614
6,6-Diethyloxane-2-carbonitrile
CID 14905230
4-Pentyloxane-4-carbonitrile
CID 65379353
2-Tert-butyl-1-oxaspiro[4.5]decane-3-carbonitrile
CID 67803137
2,2-Bis(oxolan-2-yl)propanenitrile
CID 69158395
2-[(2S)-6,6-dimethyloxan-2-yl]-2-methylpropanenitrile
CID 89146881
2-(9-Methyl-6-oxaspiro[4.5]decan-9-yl)acetonitrile
CID 138478524
(3S)-4-[(2S,5S)-2,5-dimethyloxolan-3-yl]-3-methylbutanenitrile
CID 163983444
3,3,4-Trimethyl-4-(5-propan-2-yloxan-2-yl)pentanenitrile
CID 166782195
2-[(9S)-9-methyl-6-oxaspiro[4.5]decan-9-yl]acetonitrile
CID 171409040
2-[(2S,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetonitrile
CID 1763843
2-[(2S,4S)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetonitrile
CID 1763844

Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxolan-2-yl)propyl]oxane-4-carbonitrile?
The IUPAC name of 4-[3-(oxolan-2-yl)propyl]oxane-4-carbonitrile (CID 65393760) is 4-[3-(oxolan-2-yl)propyl]oxane-4-carbonitrile.
What is the SMILES notation for 4-[3-(oxolan-2-yl)propyl]oxane-4-carbonitrile?
The canonical SMILES for 4-[3-(oxolan-2-yl)propyl]oxane-4-carbonitrile is N#CC1(CCCC2CCCO2)CCOCC1.
What is the InChIKey of 4-[3-(oxolan-2-yl)propyl]oxane-4-carbonitrile?
The InChIKey is GLCDVXKGRJIGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c14-11-13(6-9-15-10-7-13)5-1-3-12-4-2-8-16-12/h12H,1-10H2.
What are the key properties of 4-[3-(oxolan-2-yl)propyl]oxane-4-carbonitrile?
4-[3-(oxolan-2-yl)propyl]oxane-4-carbonitrile has a molecular weight of 223.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxolan-2-yl)propyl]oxane-4-carbonitrile is sourced from PubChem (CID 65393760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).