1-ethylcyclopentane-1-carbonitrile

C8H13N — CID 12859571

IUPAC1-ethylcyclopentane-1-carbonitrile
SMILESCCC1(C#N)CCCC1
InChIInChI=1S/C8H13N/c1-2-8(7-9)5-3-4-6-8/h2-6H2,1H3
InChIKeyBKMKLODHNSECBK-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.48
Rot. Bonds1

About 1-ethylcyclopentane-1-carbonitrile

1-ethylcyclopentane-1-carbonitrile (PubChem CID 12859571) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 1-ethylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-ethylcyclopentane-1-carbonitrile
PubChem CID12859571
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name1-ethylcyclopentane-1-carbonitrile
SMILESCCC1(C#N)CCCC1
InChIInChI=1S/C8H13N/c1-2-8(7-9)5-3-4-6-8/h2-6H2,1H3
InChIKeyBKMKLODHNSECBK-UHFFFAOYSA-N
XLogP2.48
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethylcyclopentane-1-carbonitrile?
The IUPAC name of 1-ethylcyclopentane-1-carbonitrile (CID 12859571) is 1-ethylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-ethylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-ethylcyclopentane-1-carbonitrile is CCC1(C#N)CCCC1.
What is the InChIKey of 1-ethylcyclopentane-1-carbonitrile?
The InChIKey is BKMKLODHNSECBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-8(7-9)5-3-4-6-8/h2-6H2,1H3.
What are the key properties of 1-ethylcyclopentane-1-carbonitrile?
1-ethylcyclopentane-1-carbonitrile has a molecular weight of 123.20 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylcyclopentane-1-carbonitrile is sourced from PubChem (CID 12859571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).