3-[(2S)-oxolan-2-yl]propanenitrile

C7H11NO — CID 129367969

IUPAC3-[(2S)-oxolan-2-yl]propanenitrile
SMILESN#CCC[C@H]1CCCO1
InChIInChI=1S/C7H11NO/c8-5-1-3-7-4-2-6-9-7/h7H,1-4,6H2/t7-/m0/s1
InChIKeyJBHAZBKWNJJBJZ-ZETCQYMHSA-N
MW125.17 g/mol
LogP1.47
Rot. Bonds2

About 3-[(2S)-oxolan-2-yl]propanenitrile

3-[(2S)-oxolan-2-yl]propanenitrile (PubChem CID 129367969) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-[(2S)-oxolan-2-yl]propanenitrile.

Molecular Properties

Compound Name3-[(2S)-oxolan-2-yl]propanenitrile
PubChem CID129367969
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3-[(2S)-oxolan-2-yl]propanenitrile
SMILESN#CCC[C@H]1CCCO1
InChIInChI=1S/C7H11NO/c8-5-1-3-7-4-2-6-9-7/h7H,1-4,6H2/t7-/m0/s1
InChIKeyJBHAZBKWNJJBJZ-ZETCQYMHSA-N
XLogP1.47
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-oxaspiro[2.7]decan-6-yl)propanenitrile
CID 155238125
3-[2-(oxolan-2-yl)ethyl-propan-2-ylamino]propanenitrile
CID 65160783
3-(oxolan-2-ylmethylamino)propanenitrile
CID 2779328
3-[ethyl-[3-(oxolan-2-yl)propyl]amino]propanenitrile
CID 65161581
2-(3-bromopropyl)oxolane
CID 15783712
[(2S)-oxolan-2-yl]methylcyanamide
CID 87337063
3-(oxazinan-6-yl)propanenitrile
CID 66612044
5-(oxolan-2-ylmethylsulfinyl)pentanenitrile
CID 103579656
3-[methyl(oxan-2-ylmethyl)amino]propanenitrile
CID 43403608
2-[3-(oxiran-2-yl)propyl]oxolane
CID 115410470
N-(2-cyanoethyl)-N-(2-methylpropyl)-3-(oxolan-2-yl)propanamide
CID 62735321
N,N-diethylethanamine;2-(oxolan-2-yl)acetonitrile
CID 158767519

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-oxolan-2-yl]propanenitrile?
The IUPAC name of 3-[(2S)-oxolan-2-yl]propanenitrile (CID 129367969) is 3-[(2S)-oxolan-2-yl]propanenitrile.
What is the SMILES notation for 3-[(2S)-oxolan-2-yl]propanenitrile?
The canonical SMILES for 3-[(2S)-oxolan-2-yl]propanenitrile is N#CCC[C@H]1CCCO1.
What is the InChIKey of 3-[(2S)-oxolan-2-yl]propanenitrile?
The InChIKey is JBHAZBKWNJJBJZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H11NO/c8-5-1-3-7-4-2-6-9-7/h7H,1-4,6H2/t7-/m0/s1.
What are the key properties of 3-[(2S)-oxolan-2-yl]propanenitrile?
3-[(2S)-oxolan-2-yl]propanenitrile has a molecular weight of 125.17 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-oxolan-2-yl]propanenitrile is sourced from PubChem (CID 129367969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).