cis-(1S,2S)-2-methylcyclopropane-1-carbonitrile

C5H7N — CID 58392287

IUPACcis-(1S,2S)-2-methylcyclopropane-1-carbonitrile
SMILESC[C@H]1C[C@@H]1C#N
InChIInChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3/t4-,5+/m0/s1
InChIKeyMWIZMXFPLVYCEB-CRCLSJGQSA-N
MW81.12 g/mol
LogP1.17
Rot. Bonds

About cis-(1S,2S)-2-methylcyclopropane-1-carbonitrile

cis-(1S,2S)-2-methylcyclopropane-1-carbonitrile (PubChem CID 58392287) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is cis-(1S,2S)-2-methylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1S,2S)-2-methylcyclopropane-1-carbonitrile
PubChem CID58392287
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC Namecis-(1S,2S)-2-methylcyclopropane-1-carbonitrile
SMILESC[C@H]1C[C@@H]1C#N
InChIInChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3/t4-,5+/m0/s1
InChIKeyMWIZMXFPLVYCEB-CRCLSJGQSA-N
XLogP1.17
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.12
LogP ≤ 51.17
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-methylcyclopropane-1-carbonitrile?
The IUPAC name of cis-(1S,2S)-2-methylcyclopropane-1-carbonitrile (CID 58392287) is cis-(1S,2S)-2-methylcyclopropane-1-carbonitrile.
What is the SMILES notation for cis-(1S,2S)-2-methylcyclopropane-1-carbonitrile?
The canonical SMILES for cis-(1S,2S)-2-methylcyclopropane-1-carbonitrile is C[C@H]1C[C@@H]1C#N.
What is the InChIKey of cis-(1S,2S)-2-methylcyclopropane-1-carbonitrile?
The InChIKey is MWIZMXFPLVYCEB-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3/t4-,5+/m0/s1.
What are the key properties of cis-(1S,2S)-2-methylcyclopropane-1-carbonitrile?
cis-(1S,2S)-2-methylcyclopropane-1-carbonitrile has a molecular weight of 81.12 g/mol, XLogP of 1.17, 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-methylcyclopropane-1-carbonitrile is sourced from PubChem (CID 58392287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).