ethane;4-methylcyclopentene-1-carbonitrile

C9H15N — CID 156838774

IUPACethane;4-methylcyclopentene-1-carbonitrile
SMILESCC.CC1CC=C(C#N)C1
InChIInChI=1S/C7H9N.C2H6/c1-6-2-3-7(4-6)5-8;1-2/h3,6H,2,4H2,1H3;1-2H3
InChIKeyVXYJDJHTWPXYQQ-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.89
Rot. Bonds

About ethane;4-methylcyclopentene-1-carbonitrile

ethane;4-methylcyclopentene-1-carbonitrile (PubChem CID 156838774) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is ethane;4-methylcyclopentene-1-carbonitrile.

Molecular Properties

Compound Nameethane;4-methylcyclopentene-1-carbonitrile
PubChem CID156838774
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Nameethane;4-methylcyclopentene-1-carbonitrile
SMILESCC.CC1CC=C(C#N)C1
InChIInChI=1S/C7H9N.C2H6/c1-6-2-3-7(4-6)5-8;1-2/h3,6H,2,4H2,1H3;1-2H3
InChIKeyVXYJDJHTWPXYQQ-UHFFFAOYSA-N
XLogP2.89
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-oxabicyclo[4.1.0]hept-3-ene-3-carbonitrile
CID 71329425
4-[benzyl(methyl)amino]cyclopentene-1-carbonitrile
CID 66606872
(5S)-2,5-dimethylcyclohex-2-en-1-one;ethane
CID 142025260
1-tert-butyl-4-methylcyclopentene
CID 13234608
5-(hydroxymethyl)cyclohexene-1-carbonitrile
CID 123956742
4-hydroxy-6-methylcyclohex-3-ene-1-carbonitrile
CID 88978787
1-(4-methylcyclopenten-1-yl)ethanone
CID 67159901
cyclobut-2-ene-1,2-dicarbonitrile
CID 23108350
4-methylcyclopentene-1-sulfinic acid
CID 174776423
tert-butyl 3-cyanocyclohex-3-ene-1-carboxylate
CID 86729361
1,5-dimethylcyclohexa-1,2-diene;ethane
CID 142867199
ethane;3-methylcyclohepta-1,3-diene-1-carbonitrile
CID 143896535

Frequently Asked Questions

What is the IUPAC name of ethane;4-methylcyclopentene-1-carbonitrile?
The IUPAC name of ethane;4-methylcyclopentene-1-carbonitrile (CID 156838774) is ethane;4-methylcyclopentene-1-carbonitrile.
What is the SMILES notation for ethane;4-methylcyclopentene-1-carbonitrile?
The canonical SMILES for ethane;4-methylcyclopentene-1-carbonitrile is CC.CC1CC=C(C#N)C1.
What is the InChIKey of ethane;4-methylcyclopentene-1-carbonitrile?
The InChIKey is VXYJDJHTWPXYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C2H6/c1-6-2-3-7(4-6)5-8;1-2/h3,6H,2,4H2,1H3;1-2H3.
What are the key properties of ethane;4-methylcyclopentene-1-carbonitrile?
ethane;4-methylcyclopentene-1-carbonitrile has a molecular weight of 137.23 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylcyclopentene-1-carbonitrile is sourced from PubChem (CID 156838774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).