trans-(1R,2S)-2-phenylcyclopropane-1-carbonitrile

C10H9N — CID 6427548

IUPACtrans-(1R,2S)-2-phenylcyclopropane-1-carbonitrile
SMILESN#C[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C10H9N/c11-7-9-6-10(9)8-4-2-1-3-5-8/h1-5,9-10H,6H2/t9-,10+/m0/s1
InChIKeyKUCVFITUDJTMFA-VHSXEESVSA-N
MW143.19 g/mol
LogP2.31
Rot. Bonds1

About trans-(1R,2S)-2-phenylcyclopropane-1-carbonitrile

trans-(1R,2S)-2-phenylcyclopropane-1-carbonitrile (PubChem CID 6427548) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is trans-(1R,2S)-2-phenylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Nametrans-(1R,2S)-2-phenylcyclopropane-1-carbonitrile
PubChem CID6427548
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Nametrans-(1R,2S)-2-phenylcyclopropane-1-carbonitrile
SMILESN#C[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C10H9N/c11-7-9-6-10(9)8-4-2-1-3-5-8/h1-5,9-10H,6H2/t9-,10+/m0/s1
InChIKeyKUCVFITUDJTMFA-VHSXEESVSA-N
XLogP2.31
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-phenylpyrazolidine-3-carbonitrile
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2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carbonitrile
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cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride
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2-oxo-4-phenyloxolane-3-carbonitrile
CID 12932810
(1R,2S,3R,5R,6S)-2-butyl-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-6-carbonitrile
CID 70157890
2-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile
CID 106523633
1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene
CID 15891688
1,2,2a,8b-tetrahydrocyclobuta[a]naphthalene-1-carbonitrile
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3-oxo-3-[(1R,2R)-2-phenylcyclopropyl]propanenitrile
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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-phenylcyclopropane-1-carbonitrile?
The IUPAC name of trans-(1R,2S)-2-phenylcyclopropane-1-carbonitrile (CID 6427548) is trans-(1R,2S)-2-phenylcyclopropane-1-carbonitrile.
What is the SMILES notation for trans-(1R,2S)-2-phenylcyclopropane-1-carbonitrile?
The canonical SMILES for trans-(1R,2S)-2-phenylcyclopropane-1-carbonitrile is N#C[C@@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2S)-2-phenylcyclopropane-1-carbonitrile?
The InChIKey is KUCVFITUDJTMFA-VHSXEESVSA-N. The full InChI is InChI=1S/C10H9N/c11-7-9-6-10(9)8-4-2-1-3-5-8/h1-5,9-10H,6H2/t9-,10+/m0/s1.
What are the key properties of trans-(1R,2S)-2-phenylcyclopropane-1-carbonitrile?
trans-(1R,2S)-2-phenylcyclopropane-1-carbonitrile has a molecular weight of 143.19 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-phenylcyclopropane-1-carbonitrile is sourced from PubChem (CID 6427548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).