(1R,2R)-2-[(1S)-1-hydroxy-2-phenylmethoxyethyl]cyclopent-3-ene-1-carbonitrile

C15H17NO2 — CID 11514272

IUPAC(1R,2R)-2-[(1S)-1-hydroxy-2-phenylmethoxyethyl]cyclopent-3-ene-1-carbonitrile
SMILESN#C[C@@H]1CC=C[C@H]1[C@H](O)COCc1ccccc1
InChIInChI=1S/C15H17NO2/c16-9-13-7-4-8-14(13)15(17)11-18-10-12-5-2-1-3-6-12/h1-6,8,13-15,17H,7,10-11H2/t13-,14+,15+/m0/s1
InChIKeyMHTCHNOMRLVPAI-RRFJBIMHSA-N
MW243.31 g/mol
LogP2.28
Rot. Bonds5

About (1R,2R)-2-[(1S)-1-hydroxy-2-phenylmethoxyethyl]cyclopent-3-ene-1-carbonitrile

(1R,2R)-2-[(1S)-1-hydroxy-2-phenylmethoxyethyl]cyclopent-3-ene-1-carbonitrile (PubChem CID 11514272) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (1R,2R)-2-[(1S)-1-hydroxy-2-phenylmethoxyethyl]cyclopent-3-ene-1-carbonitrile.

Molecular Properties

Compound Name(1R,2R)-2-[(1S)-1-hydroxy-2-phenylmethoxyethyl]cyclopent-3-ene-1-carbonitrile
PubChem CID11514272
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(1R,2R)-2-[(1S)-1-hydroxy-2-phenylmethoxyethyl]cyclopent-3-ene-1-carbonitrile
SMILESN#C[C@@H]1CC=C[C@H]1[C@H](O)COCc1ccccc1
InChIInChI=1S/C15H17NO2/c16-9-13-7-4-8-14(13)15(17)11-18-10-12-5-2-1-3-6-12/h1-6,8,13-15,17H,7,10-11H2/t13-,14+,15+/m0/s1
InChIKeyMHTCHNOMRLVPAI-RRFJBIMHSA-N
XLogP2.28
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-phenylmethoxyethane-1,1-diol
CID 59866645
(1R)-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]ethane-1,2-diol
CID 135038520
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(3S)-4,4,5,5-tetradeuterio-3-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-one
CID 58475036
3-[(2R,3R,4S,5S)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]oxypropanenitrile
CID 10649147
4-(2-hydroxy-3-phenylmethoxypropyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 75114895
(3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-one
CID 102207627
3-cyano-4-phenylmethoxybutanoic acid
CID 90860615
CID 172760983
CID 172760983
3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol
CID 14003288
(2R,3R,4R,5R)-2,4,5-trifluoro-1,6-bis(phenylmethoxy)hexan-3-ol
CID 15965591

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-[(1S)-1-hydroxy-2-phenylmethoxyethyl]cyclopent-3-ene-1-carbonitrile?
The IUPAC name of (1R,2R)-2-[(1S)-1-hydroxy-2-phenylmethoxyethyl]cyclopent-3-ene-1-carbonitrile (CID 11514272) is (1R,2R)-2-[(1S)-1-hydroxy-2-phenylmethoxyethyl]cyclopent-3-ene-1-carbonitrile.
What is the SMILES notation for (1R,2R)-2-[(1S)-1-hydroxy-2-phenylmethoxyethyl]cyclopent-3-ene-1-carbonitrile?
The canonical SMILES for (1R,2R)-2-[(1S)-1-hydroxy-2-phenylmethoxyethyl]cyclopent-3-ene-1-carbonitrile is N#C[C@@H]1CC=C[C@H]1[C@H](O)COCc1ccccc1.
What is the InChIKey of (1R,2R)-2-[(1S)-1-hydroxy-2-phenylmethoxyethyl]cyclopent-3-ene-1-carbonitrile?
The InChIKey is MHTCHNOMRLVPAI-RRFJBIMHSA-N. The full InChI is InChI=1S/C15H17NO2/c16-9-13-7-4-8-14(13)15(17)11-18-10-12-5-2-1-3-6-12/h1-6,8,13-15,17H,7,10-11H2/t13-,14+,15+/m0/s1.
What are the key properties of (1R,2R)-2-[(1S)-1-hydroxy-2-phenylmethoxyethyl]cyclopent-3-ene-1-carbonitrile?
(1R,2R)-2-[(1S)-1-hydroxy-2-phenylmethoxyethyl]cyclopent-3-ene-1-carbonitrile has a molecular weight of 243.31 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-[(1S)-1-hydroxy-2-phenylmethoxyethyl]cyclopent-3-ene-1-carbonitrile is sourced from PubChem (CID 11514272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).