(3S)-3-(4-chlorophenyl)oxolane-3-carbonitrile

C11H10ClNO — CID 97052382

IUPAC(3S)-3-(4-chlorophenyl)oxolane-3-carbonitrile
SMILESN#C[C@@]1(c2ccc(Cl)cc2)CCOC1
InChIInChI=1S/C11H10ClNO/c12-10-3-1-9(2-4-10)11(7-13)5-6-14-8-11/h1-4H,5-6,8H2/t11-/m0/s1
InChIKeyOWPDMALZXSUTKT-NSHDSACASA-N
MW207.66 g/mol
LogP2.52
Rot. Bonds1

About (3S)-3-(4-chlorophenyl)oxolane-3-carbonitrile

(3S)-3-(4-chlorophenyl)oxolane-3-carbonitrile (PubChem CID 97052382) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is (3S)-3-(4-chlorophenyl)oxolane-3-carbonitrile.

Molecular Properties

Compound Name(3S)-3-(4-chlorophenyl)oxolane-3-carbonitrile
PubChem CID97052382
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name(3S)-3-(4-chlorophenyl)oxolane-3-carbonitrile
SMILESN#C[C@@]1(c2ccc(Cl)cc2)CCOC1
InChIInChI=1S/C11H10ClNO/c12-10-3-1-9(2-4-10)11(7-13)5-6-14-8-11/h1-4H,5-6,8H2/t11-/m0/s1
InChIKeyOWPDMALZXSUTKT-NSHDSACASA-N
XLogP2.52
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(4-bromophenyl)oxolane-3-carbonitrile
CID 124544632
3-pyridin-4-yloxolane-3-carbonitrile
CID 130160291
(3R)-3-(4-methylphenyl)oxane-3-carbonitrile
CID 125449794
(3R)-3-(4-fluorophenyl)oxane-3-carbonitrile
CID 125450406
(3R)-3-(4-bromophenyl)oxane-3-carbonitrile
CID 125449886
3-(4-methylphenyl)oxane-3-carbonitrile
CID 131631913
1-(4-chlorophenyl)cyclopent-3-ene-1-carbonitrile
CID 65353544
4-(3,4-dichlorophenyl)oxane-4-carbonitrile
CID 43164277
(3S)-3-(3-methylphenyl)oxolane-3-carbonitrile
CID 125063215
3-(4-methoxyphenyl)oxane-3-carbonitrile
CID 142504213
5-(3-cyanooxolan-3-yl)pyridine-2-carboxylic acid
CID 130407792
1-(4-chlorophenyl)-3-oxocyclobutane-1-carbonitrile
CID 58246301

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chlorophenyl)oxolane-3-carbonitrile?
The IUPAC name of (3S)-3-(4-chlorophenyl)oxolane-3-carbonitrile (CID 97052382) is (3S)-3-(4-chlorophenyl)oxolane-3-carbonitrile.
What is the SMILES notation for (3S)-3-(4-chlorophenyl)oxolane-3-carbonitrile?
The canonical SMILES for (3S)-3-(4-chlorophenyl)oxolane-3-carbonitrile is N#C[C@@]1(c2ccc(Cl)cc2)CCOC1.
What is the InChIKey of (3S)-3-(4-chlorophenyl)oxolane-3-carbonitrile?
The InChIKey is OWPDMALZXSUTKT-NSHDSACASA-N. The full InChI is InChI=1S/C11H10ClNO/c12-10-3-1-9(2-4-10)11(7-13)5-6-14-8-11/h1-4H,5-6,8H2/t11-/m0/s1.
What are the key properties of (3S)-3-(4-chlorophenyl)oxolane-3-carbonitrile?
(3S)-3-(4-chlorophenyl)oxolane-3-carbonitrile has a molecular weight of 207.66 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-chlorophenyl)oxolane-3-carbonitrile is sourced from PubChem (CID 97052382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).