6-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile

C12H14N2O — CID 171502278

IUPAC6-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC(C)c1ncc2c(c1C#N)CCOC2
InChIInChI=1S/C12H14N2O/c1-8(2)12-11(5-13)10-3-4-15-7-9(10)6-14-12/h6,8H,3-4,7H2,1-2H3
InChIKeyBBVPYOICUSNPDO-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.15
Rot. Bonds1

About 6-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile

6-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 171502278) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 6-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID171502278
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name6-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC(C)c1ncc2c(c1C#N)CCOC2
InChIInChI=1S/C12H14N2O/c1-8(2)12-11(5-13)10-3-4-15-7-9(10)6-14-12/h6,8H,3-4,7H2,1-2H3
InChIKeyBBVPYOICUSNPDO-UHFFFAOYSA-N
XLogP2.15
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-3,4-dihydro-1H-pyrano[4,3-c]pyridine-8-carbonitrile
CID 82598786
6-propan-2-ylfuro[3,2-c]pyridine-7-carbonitrile
CID 59589027
7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 66815583
4-propan-2-yl-2,5,7,8-tetrahydropyrano[3,4-d]pyridazin-1-one
CID 130232048
4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine
CID 59583797
2-propan-2-ylpyridine-3,5-dicarbonitrile
CID 10261540
5-amino-3-propan-2-ylpyrazine-2-carbonitrile
CID 123481149
N-(5-cyano-4-methyl-2-propan-2-yl-3-pyridinyl)acetamide
CID 156733985
3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole
CID 70660609
3-(3,4-dihydro-1H-pyrano[3,4-c]pyridin-5-yl)butanoic acid
CID 83838204
3-(chloromethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 86018923
3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 13481189

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CID 171502278) is 6-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is CC(C)c1ncc2c(c1C#N)CCOC2.
What is the InChIKey of 6-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is BBVPYOICUSNPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8(2)12-11(5-13)10-3-4-15-7-9(10)6-14-12/h6,8H,3-4,7H2,1-2H3.
What are the key properties of 6-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
6-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 171502278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).