2-[(1R,3S)-3-hydroxycyclopentyl]-2,2-diphenylacetonitrile

C19H19NO — CID 68601434

IUPAC2-[(1R,3S)-3-hydroxycyclopentyl]-2,2-diphenylacetonitrile
SMILESN#CC(c1ccccc1)(c1ccccc1)[C@@H]1CC[C@H](O)C1
InChIInChI=1S/C19H19NO/c20-14-19(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-12-18(21)13-17/h1-10,17-18,21H,11-13H2/t17-,18+/m1/s1
InChIKeyLSILODPYFOAADX-MSOLQXFVSA-N
MW277.37 g/mol
LogP3.66
Rot. Bonds3

About 2-[(1R,3S)-3-hydroxycyclopentyl]-2,2-diphenylacetonitrile

2-[(1R,3S)-3-hydroxycyclopentyl]-2,2-diphenylacetonitrile (PubChem CID 68601434) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(1R,3S)-3-hydroxycyclopentyl]-2,2-diphenylacetonitrile.

Molecular Properties

Compound Name2-[(1R,3S)-3-hydroxycyclopentyl]-2,2-diphenylacetonitrile
PubChem CID68601434
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name2-[(1R,3S)-3-hydroxycyclopentyl]-2,2-diphenylacetonitrile
SMILESN#CC(c1ccccc1)(c1ccccc1)[C@@H]1CC[C@H](O)C1
InChIInChI=1S/C19H19NO/c20-14-19(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-12-18(21)13-17/h1-10,17-18,21H,11-13H2/t17-,18+/m1/s1
InChIKeyLSILODPYFOAADX-MSOLQXFVSA-N
XLogP3.66
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S)-3-hydroxycyclopentyl]-2,2-diphenylacetonitrile?
The IUPAC name of 2-[(1R,3S)-3-hydroxycyclopentyl]-2,2-diphenylacetonitrile (CID 68601434) is 2-[(1R,3S)-3-hydroxycyclopentyl]-2,2-diphenylacetonitrile.
What is the SMILES notation for 2-[(1R,3S)-3-hydroxycyclopentyl]-2,2-diphenylacetonitrile?
The canonical SMILES for 2-[(1R,3S)-3-hydroxycyclopentyl]-2,2-diphenylacetonitrile is N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CC[C@H](O)C1.
What is the InChIKey of 2-[(1R,3S)-3-hydroxycyclopentyl]-2,2-diphenylacetonitrile?
The InChIKey is LSILODPYFOAADX-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H19NO/c20-14-19(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-12-18(21)13-17/h1-10,17-18,21H,11-13H2/t17-,18+/m1/s1.
What are the key properties of 2-[(1R,3S)-3-hydroxycyclopentyl]-2,2-diphenylacetonitrile?
2-[(1R,3S)-3-hydroxycyclopentyl]-2,2-diphenylacetonitrile has a molecular weight of 277.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3S)-3-hydroxycyclopentyl]-2,2-diphenylacetonitrile is sourced from PubChem (CID 68601434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).