3-(2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl)pyridine

C18H23NO — CID 572778

IUPAC3-(2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl)pyridine
SMILESC1=C2C3CCCCC3OC(c3cccnc3)C2CCC1
InChIInChI=1S/C18H23NO/c1-2-9-16-14(7-1)15-8-3-4-10-17(15)20-18(16)13-6-5-11-19-12-13/h5-7,11-12,15-18H,1-4,8-10H2
InChIKeyZHSGDKFSGZUNEJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.44
Rot. Bonds1

About 3-(2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl)pyridine

3-(2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl)pyridine (PubChem CID 572778) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-(2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl)pyridine.

Molecular Properties

Compound Name3-(2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl)pyridine
PubChem CID572778
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-(2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl)pyridine
SMILESC1=C2C3CCCCC3OC(c3cccnc3)C2CCC1
InChIInChI=1S/C18H23NO/c1-2-9-16-14(7-1)15-8-3-4-10-17(15)20-18(16)13-6-5-11-19-12-13/h5-7,11-12,15-18H,1-4,8-10H2
InChIKeyZHSGDKFSGZUNEJ-UHFFFAOYSA-N
XLogP4.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 25422397
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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl)pyridine?
The IUPAC name of 3-(2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl)pyridine (CID 572778) is 3-(2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl)pyridine.
What is the SMILES notation for 3-(2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl)pyridine?
The canonical SMILES for 3-(2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl)pyridine is C1=C2C3CCCCC3OC(c3cccnc3)C2CCC1.
What is the InChIKey of 3-(2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl)pyridine?
The InChIKey is ZHSGDKFSGZUNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-9-16-14(7-1)15-8-3-4-10-17(15)20-18(16)13-6-5-11-19-12-13/h5-7,11-12,15-18H,1-4,8-10H2.
What are the key properties of 3-(2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl)pyridine?
3-(2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl)pyridine has a molecular weight of 269.39 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl)pyridine is sourced from PubChem (CID 572778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).