2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridine

C12H15NO — CID 70595241

IUPAC2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridine
SMILESC1=CCC2OC3CCNCC3=CC2=C1
InChIInChI=1S/C12H15NO/c1-2-4-11-9(3-1)7-10-8-13-6-5-12(10)14-11/h1-3,7,11-13H,4-6,8H2
InChIKeyMETMTKUELFXFPO-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.56
Rot. Bonds

About 2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridine

2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridine (PubChem CID 70595241) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridine.

Molecular Properties

Compound Name2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridine
PubChem CID70595241
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridine
SMILESC1=CCC2OC3CCNCC3=CC2=C1
InChIInChI=1S/C12H15NO/c1-2-4-11-9(3-1)7-10-8-13-6-5-12(10)14-11/h1-3,7,11-13H,4-6,8H2
InChIKeyMETMTKUELFXFPO-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[2-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine
CID 145651622
4-[(4-Fluorocyclohexa-1,3-dien-1-yl)methoxy]piperidine
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2,3,4,4a,5,6a-hexahydro-1H-chromeno[3,4-b]pyridine
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2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridin-10-ol
CID 67616752
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Spiro[3,4,5,6-tetrahydroisochromene-1,4'-piperidine]
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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridine?
The IUPAC name of 2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridine (CID 70595241) is 2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridine.
What is the SMILES notation for 2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridine?
The canonical SMILES for 2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridine is C1=CCC2OC3CCNCC3=CC2=C1.
What is the InChIKey of 2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridine?
The InChIKey is METMTKUELFXFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-4-11-9(3-1)7-10-8-13-6-5-12(10)14-11/h1-3,7,11-13H,4-6,8H2.
What are the key properties of 2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridine?
2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridine has a molecular weight of 189.26 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridine is sourced from PubChem (CID 70595241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).