cis-(1S,2S)-2-methylcyclopentane-1-carbonitrile;ethane

C9H17N — CID 167444944

IUPACcis-(1S,2S)-2-methylcyclopentane-1-carbonitrile;ethane
SMILESCC.C[C@H]1CCC[C@@H]1C#N
InChIInChI=1S/C7H11N.C2H6/c1-6-3-2-4-7(6)5-8;1-2/h6-7H,2-4H2,1H3;1-2H3/t6-,7+;/m0./s1
InChIKeyGCVISWRHUCLREH-UOERWJHTSA-N
MW139.24 g/mol
LogP2.97
Rot. Bonds

About cis-(1S,2S)-2-methylcyclopentane-1-carbonitrile;ethane

cis-(1S,2S)-2-methylcyclopentane-1-carbonitrile;ethane (PubChem CID 167444944) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is cis-(1S,2S)-2-methylcyclopentane-1-carbonitrile;ethane.

Molecular Properties

Compound Namecis-(1S,2S)-2-methylcyclopentane-1-carbonitrile;ethane
PubChem CID167444944
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Namecis-(1S,2S)-2-methylcyclopentane-1-carbonitrile;ethane
SMILESCC.C[C@H]1CCC[C@@H]1C#N
InChIInChI=1S/C7H11N.C2H6/c1-6-3-2-4-7(6)5-8;1-2/h6-7H,2-4H2,1H3;1-2H3/t6-,7+;/m0./s1
InChIKeyGCVISWRHUCLREH-UOERWJHTSA-N
XLogP2.97
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-methylcyclopentane-1-carbonitrile;ethane?
The IUPAC name of cis-(1S,2S)-2-methylcyclopentane-1-carbonitrile;ethane (CID 167444944) is cis-(1S,2S)-2-methylcyclopentane-1-carbonitrile;ethane.
What is the SMILES notation for cis-(1S,2S)-2-methylcyclopentane-1-carbonitrile;ethane?
The canonical SMILES for cis-(1S,2S)-2-methylcyclopentane-1-carbonitrile;ethane is CC.C[C@H]1CCC[C@@H]1C#N.
What is the InChIKey of cis-(1S,2S)-2-methylcyclopentane-1-carbonitrile;ethane?
The InChIKey is GCVISWRHUCLREH-UOERWJHTSA-N. The full InChI is InChI=1S/C7H11N.C2H6/c1-6-3-2-4-7(6)5-8;1-2/h6-7H,2-4H2,1H3;1-2H3/t6-,7+;/m0./s1.
What are the key properties of cis-(1S,2S)-2-methylcyclopentane-1-carbonitrile;ethane?
cis-(1S,2S)-2-methylcyclopentane-1-carbonitrile;ethane has a molecular weight of 139.24 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-methylcyclopentane-1-carbonitrile;ethane is sourced from PubChem (CID 167444944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).