2-propoxycyclohexane-1-carbonitrile

C10H17NO — CID 43292927

IUPAC2-propoxycyclohexane-1-carbonitrile
SMILESCCCOC1CCCCC1C#N
InChIInChI=1S/C10H17NO/c1-2-7-12-10-6-4-3-5-9(10)8-11/h9-10H,2-7H2,1H3
InChIKeyFSGBAWWTJGREFZ-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.50
Rot. Bonds3

About 2-propoxycyclohexane-1-carbonitrile

2-propoxycyclohexane-1-carbonitrile (PubChem CID 43292927) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-propoxycyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-propoxycyclohexane-1-carbonitrile
PubChem CID43292927
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-propoxycyclohexane-1-carbonitrile
SMILESCCCOC1CCCCC1C#N
InChIInChI=1S/C10H17NO/c1-2-7-12-10-6-4-3-5-9(10)8-11/h9-10H,2-7H2,1H3
InChIKeyFSGBAWWTJGREFZ-UHFFFAOYSA-N
XLogP2.50
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxyethoxy)cyclopentane-1-carbonitrile
CID 43292510
2-(3-methoxypropoxy)cyclopentane-1-carbonitrile
CID 114995829
cis-(1R,2S)-1-hex-1-ynyl-2-propoxycyclohexane
CID 15441434
2-(2-methylbutan-2-yloxy)cyclohexane-1-carbonitrile
CID 43292750
2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile
CID 43292822
2-(oxan-4-ylmethoxy)cycloheptane-1-carbonitrile
CID 115001962
2-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile
CID 43292537
1,2-dibutoxycyclohexane
CID 24962665
[(1R,2S)-2-cyanocyclopentyl] propanoate
CID 124660836
1-propoxy-2-(trifluoromethyl)cyclohexane
CID 162596564
trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile
CID 12656927
4-ethyl-2-pentoxycyclohexane-1-carbonitrile
CID 43292948

Frequently Asked Questions

What is the IUPAC name of 2-propoxycyclohexane-1-carbonitrile?
The IUPAC name of 2-propoxycyclohexane-1-carbonitrile (CID 43292927) is 2-propoxycyclohexane-1-carbonitrile.
What is the SMILES notation for 2-propoxycyclohexane-1-carbonitrile?
The canonical SMILES for 2-propoxycyclohexane-1-carbonitrile is CCCOC1CCCCC1C#N.
What is the InChIKey of 2-propoxycyclohexane-1-carbonitrile?
The InChIKey is FSGBAWWTJGREFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-7-12-10-6-4-3-5-9(10)8-11/h9-10H,2-7H2,1H3.
What are the key properties of 2-propoxycyclohexane-1-carbonitrile?
2-propoxycyclohexane-1-carbonitrile has a molecular weight of 167.25 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxycyclohexane-1-carbonitrile is sourced from PubChem (CID 43292927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).