(1S)-4-(6-methoxy-3-pyridinyl)cyclohex-3-ene-1-carbonitrile

C13H14N2O — CID 139511925

IUPAC(1S)-4-(6-methoxy-3-pyridinyl)cyclohex-3-ene-1-carbonitrile
SMILESCOc1ccc(C2=CC[C@@H](C#N)CC2)cn1
InChIInChI=1S/C13H14N2O/c1-16-13-7-6-12(9-15-13)11-4-2-10(8-14)3-5-11/h4,6-7,9-10H,2-3,5H2,1H3/t10-/m1/s1
InChIKeySVTVIMQAXHQGLG-SNVBAGLBSA-N
MW214.27 g/mol
LogP2.80
Rot. Bonds2

About (1S)-4-(6-methoxy-3-pyridinyl)cyclohex-3-ene-1-carbonitrile

(1S)-4-(6-methoxy-3-pyridinyl)cyclohex-3-ene-1-carbonitrile (PubChem CID 139511925) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (1S)-4-(6-methoxy-3-pyridinyl)cyclohex-3-ene-1-carbonitrile.

Molecular Properties

Compound Name(1S)-4-(6-methoxy-3-pyridinyl)cyclohex-3-ene-1-carbonitrile
PubChem CID139511925
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(1S)-4-(6-methoxy-3-pyridinyl)cyclohex-3-ene-1-carbonitrile
SMILESCOc1ccc(C2=CC[C@@H](C#N)CC2)cn1
InChIInChI=1S/C13H14N2O/c1-16-13-7-6-12(9-15-13)11-4-2-10(8-14)3-5-11/h4,6-7,9-10H,2-3,5H2,1H3/t10-/m1/s1
InChIKeySVTVIMQAXHQGLG-SNVBAGLBSA-N
XLogP2.80
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(2-methoxyquinolin-6-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile
CID 135260439
3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-ol
CID 10822113
4-chloro-2-(6-methoxy-3-pyridinyl)cyclohexa-1,3-diene-1-carbonitrile
CID 139893403
4-[4-[5-[4-(4-cyanocyclohexen-1-yl)-3,5-difluorophenyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-fluorophenyl]cyclohex-3-ene-1-carbonitrile
CID 170665398
methyl 4-(6-chloro-3-pyridinyl)cyclohex-3-ene-1-carboxylate
CID 142612409
(1S,5R)-7-(6-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene
CID 71512029
tert-butyl 4-(6-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 154620521
3-methoxy-6-(6-methoxy-3-pyridinyl)pyridazine
CID 24851547
5-(4-iodophenyl)-2-methoxypyridine
CID 121329970
5-(6-methoxy-3-pyridinyl)-2-phenoxypyrimidine
CID 146597513
1-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropan-1-amine
CID 121277753
1-methoxy-4-(4-methylcyclohexen-1-yl)benzene
CID 3765590

Frequently Asked Questions

What is the IUPAC name of (1S)-4-(6-methoxy-3-pyridinyl)cyclohex-3-ene-1-carbonitrile?
The IUPAC name of (1S)-4-(6-methoxy-3-pyridinyl)cyclohex-3-ene-1-carbonitrile (CID 139511925) is (1S)-4-(6-methoxy-3-pyridinyl)cyclohex-3-ene-1-carbonitrile.
What is the SMILES notation for (1S)-4-(6-methoxy-3-pyridinyl)cyclohex-3-ene-1-carbonitrile?
The canonical SMILES for (1S)-4-(6-methoxy-3-pyridinyl)cyclohex-3-ene-1-carbonitrile is COc1ccc(C2=CC[C@@H](C#N)CC2)cn1.
What is the InChIKey of (1S)-4-(6-methoxy-3-pyridinyl)cyclohex-3-ene-1-carbonitrile?
The InChIKey is SVTVIMQAXHQGLG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14N2O/c1-16-13-7-6-12(9-15-13)11-4-2-10(8-14)3-5-11/h4,6-7,9-10H,2-3,5H2,1H3/t10-/m1/s1.
What are the key properties of (1S)-4-(6-methoxy-3-pyridinyl)cyclohex-3-ene-1-carbonitrile?
(1S)-4-(6-methoxy-3-pyridinyl)cyclohex-3-ene-1-carbonitrile has a molecular weight of 214.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-(6-methoxy-3-pyridinyl)cyclohex-3-ene-1-carbonitrile is sourced from PubChem (CID 139511925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).