1-ethylcyclohexane-1-carbonitrile

C9H15N — CID 20575451

IUPAC1-ethylcyclohexane-1-carbonitrile
SMILESCCC1(C#N)CCCCC1
InChIInChI=1S/C9H15N/c1-2-9(8-10)6-4-3-5-7-9/h2-7H2,1H3
InChIKeyMEHBOHFZFXGIQL-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.87
Rot. Bonds1

About 1-ethylcyclohexane-1-carbonitrile

1-ethylcyclohexane-1-carbonitrile (PubChem CID 20575451) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-ethylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-ethylcyclohexane-1-carbonitrile
PubChem CID20575451
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-ethylcyclohexane-1-carbonitrile
SMILESCCC1(C#N)CCCCC1
InChIInChI=1S/C9H15N/c1-2-9(8-10)6-4-3-5-7-9/h2-7H2,1H3
InChIKeyMEHBOHFZFXGIQL-UHFFFAOYSA-N
XLogP2.87
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethylcyclohexane-1-carbonitrile?
The IUPAC name of 1-ethylcyclohexane-1-carbonitrile (CID 20575451) is 1-ethylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-ethylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-ethylcyclohexane-1-carbonitrile is CCC1(C#N)CCCCC1.
What is the InChIKey of 1-ethylcyclohexane-1-carbonitrile?
The InChIKey is MEHBOHFZFXGIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-9(8-10)6-4-3-5-7-9/h2-7H2,1H3.
What are the key properties of 1-ethylcyclohexane-1-carbonitrile?
1-ethylcyclohexane-1-carbonitrile has a molecular weight of 137.23 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylcyclohexane-1-carbonitrile is sourced from PubChem (CID 20575451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).