3-(7-oxaspiro[2.7]decan-6-yl)propanenitrile

C12H19NO — CID 155238125

IUPAC3-(7-oxaspiro[2.7]decan-6-yl)propanenitrile
SMILESN#CCCC1CCC2(CCCO1)CC2
InChIInChI=1S/C12H19NO/c13-9-1-3-11-4-6-12(7-8-12)5-2-10-14-11/h11H,1-8,10H2
InChIKeyYAWVYVPETFFMTM-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.03
Rot. Bonds2

About 3-(7-oxaspiro[2.7]decan-6-yl)propanenitrile

3-(7-oxaspiro[2.7]decan-6-yl)propanenitrile (PubChem CID 155238125) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(7-oxaspiro[2.7]decan-6-yl)propanenitrile.

Molecular Properties

Compound Name3-(7-oxaspiro[2.7]decan-6-yl)propanenitrile
PubChem CID155238125
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-(7-oxaspiro[2.7]decan-6-yl)propanenitrile
SMILESN#CCCC1CCC2(CCCO1)CC2
InChIInChI=1S/C12H19NO/c13-9-1-3-11-4-6-12(7-8-12)5-2-10-14-11/h11H,1-8,10H2
InChIKeyYAWVYVPETFFMTM-UHFFFAOYSA-N
XLogP3.03
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(7-oxaspiro[2.7]decan-6-yl)propanenitrile 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

3-[(2S)-oxolan-2-yl]propanenitrile
CID 129367969
3-[2-(oxolan-2-yl)ethyl-propan-2-ylamino]propanenitrile
CID 65160783
3-(1,4-dioxaspiro[4.5]decan-6-yl)propanenitrile
CID 5240364
3-(oxolan-2-ylmethylamino)propanenitrile
CID 2779328
3-[ethyl-[3-(oxolan-2-yl)propyl]amino]propanenitrile
CID 65161581
3-(oxazinan-6-yl)propanenitrile
CID 66612044
1-[2-(oxolan-2-yl)ethyl]cyclopentan-1-ol
CID 65162273
3-[methyl(oxan-2-ylmethyl)amino]propanenitrile
CID 43403608
N-(2-cyanoethyl)-N-(2-methylpropyl)-3-(oxolan-2-yl)propanamide
CID 62735321
1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol
CID 65162275
1-[2-(oxan-2-yl)ethyl]cyclobutan-1-ol
CID 115073640
8-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)spiro[4.5]decan-8-amine
CID 114818074

Frequently Asked Questions

What is the IUPAC name of 3-(7-oxaspiro[2.7]decan-6-yl)propanenitrile?
The IUPAC name of 3-(7-oxaspiro[2.7]decan-6-yl)propanenitrile (CID 155238125) is 3-(7-oxaspiro[2.7]decan-6-yl)propanenitrile.
What is the SMILES notation for 3-(7-oxaspiro[2.7]decan-6-yl)propanenitrile?
The canonical SMILES for 3-(7-oxaspiro[2.7]decan-6-yl)propanenitrile is N#CCCC1CCC2(CCCO1)CC2.
What is the InChIKey of 3-(7-oxaspiro[2.7]decan-6-yl)propanenitrile?
The InChIKey is YAWVYVPETFFMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c13-9-1-3-11-4-6-12(7-8-12)5-2-10-14-11/h11H,1-8,10H2.
What are the key properties of 3-(7-oxaspiro[2.7]decan-6-yl)propanenitrile?
3-(7-oxaspiro[2.7]decan-6-yl)propanenitrile has a molecular weight of 193.29 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-oxaspiro[2.7]decan-6-yl)propanenitrile is sourced from PubChem (CID 155238125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).