3-(oxazinan-6-yl)propanenitrile

C7H12N2O — CID 66612044

IUPAC3-(oxazinan-6-yl)propanenitrile
SMILESN#CCCC1CCCNO1
InChIInChI=1S/C7H12N2O/c8-5-1-3-7-4-2-6-9-10-7/h7,9H,1-4,6H2
InChIKeyUCJNINZCEQFXNA-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.97
Rot. Bonds2

About 3-(oxazinan-6-yl)propanenitrile

3-(oxazinan-6-yl)propanenitrile (PubChem CID 66612044) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-(oxazinan-6-yl)propanenitrile.

Molecular Properties

Compound Name3-(oxazinan-6-yl)propanenitrile
PubChem CID66612044
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-(oxazinan-6-yl)propanenitrile
SMILESN#CCCC1CCCNO1
InChIInChI=1S/C7H12N2O/c8-5-1-3-7-4-2-6-9-10-7/h7,9H,1-4,6H2
InChIKeyUCJNINZCEQFXNA-UHFFFAOYSA-N
XLogP0.97
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-oxolan-2-yl]propanenitrile
CID 129367969
3-cyclopropylpropanenitrile
CID 12768628
3-cycloheptylpropanenitrile
CID 13164045
3-(7-oxaspiro[2.7]decan-6-yl)propanenitrile
CID 155238125
5-pyrrolidin-2-ylpentanenitrile
CID 174696623
3-pyrrolidin-3-ylpropanenitrile
CID 83669079
3-(oxolan-2-ylmethylamino)propanenitrile
CID 2779328
3-[(3R)-2-oxooxepan-3-yl]propanenitrile
CID 132544604
3-[2-(oxolan-2-yl)ethyl-propan-2-ylamino]propanenitrile
CID 65160783
3-[2,3,4-tris(2-cyanoethyl)cyclobutyl]propanenitrile
CID 166999311
3-[2,3,4,5,6-pentakis(2-cyanoethyl)cyclohexyl]propanenitrile
CID 166999538
[(5S)-1,2-oxazolidin-5-yl]methanol
CID 130770915

Frequently Asked Questions

What is the IUPAC name of 3-(oxazinan-6-yl)propanenitrile?
The IUPAC name of 3-(oxazinan-6-yl)propanenitrile (CID 66612044) is 3-(oxazinan-6-yl)propanenitrile.
What is the SMILES notation for 3-(oxazinan-6-yl)propanenitrile?
The canonical SMILES for 3-(oxazinan-6-yl)propanenitrile is N#CCCC1CCCNO1.
What is the InChIKey of 3-(oxazinan-6-yl)propanenitrile?
The InChIKey is UCJNINZCEQFXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c8-5-1-3-7-4-2-6-9-10-7/h7,9H,1-4,6H2.
What are the key properties of 3-(oxazinan-6-yl)propanenitrile?
3-(oxazinan-6-yl)propanenitrile has a molecular weight of 140.19 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxazinan-6-yl)propanenitrile is sourced from PubChem (CID 66612044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).