cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carbonitrile

C11H11N — CID 6427547

IUPACcis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carbonitrile
SMILESC[C@@]1(c2ccccc2)C[C@@H]1C#N
InChIInChI=1S/C11H11N/c1-11(7-10(11)8-12)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3/t10-,11+/m1/s1
InChIKeyNXEGBZUVVOEMCE-MNOVXSKESA-N
MW157.22 g/mol
LogP2.49
Rot. Bonds1

About cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carbonitrile

cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carbonitrile (PubChem CID 6427547) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carbonitrile
PubChem CID6427547
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Namecis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carbonitrile
SMILESC[C@@]1(c2ccccc2)C[C@@H]1C#N
InChIInChI=1S/C11H11N/c1-11(7-10(11)8-12)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3/t10-,11+/m1/s1
InChIKeyNXEGBZUVVOEMCE-MNOVXSKESA-N
XLogP2.49
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2-(4-phenylphenyl)cyclopropane-1-carbonitrile
CID 116841830
2-methyl-2-(4-propan-2-yloxyphenyl)cyclopropane-1-carbonitrile
CID 116841843
2-fluoro-2-phenylcyclopropane-1-carbonitrile
CID 102180676
cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
3-hydroxy-6-methyl-3,6-diphenyldioxane-4-carbonitrile
CID 15324080
[(1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methylcyclopropyl]benzene
CID 166442212
[(1R,2S)-2-(2-cyclopenta-1,4-dien-1-ylethynyl)-1-methylcyclopropyl]benzene
CID 138979412
2-methyl-2-(1-methylindol-3-yl)cyclopropane-1-carbonitrile
CID 116841846
2-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile
CID 116841836
2,3-dimethyl-3-phenylcyclobutan-1-ol
CID 175816648
cis-(1R,2S)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252591
[(1S,2R)-2-methyl-2-phenylcyclopropyl]methanol
CID 15781967

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carbonitrile?
The IUPAC name of cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carbonitrile (CID 6427547) is cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carbonitrile.
What is the SMILES notation for cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carbonitrile?
The canonical SMILES for cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carbonitrile is C[C@@]1(c2ccccc2)C[C@@H]1C#N.
What is the InChIKey of cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carbonitrile?
The InChIKey is NXEGBZUVVOEMCE-MNOVXSKESA-N. The full InChI is InChI=1S/C11H11N/c1-11(7-10(11)8-12)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3/t10-,11+/m1/s1.
What are the key properties of cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carbonitrile?
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carbonitrile has a molecular weight of 157.22 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carbonitrile is sourced from PubChem (CID 6427547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).