10b-hydroxy-3-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline-1-carbonitrile

C15H18N2O — CID 3164170

IUPAC10b-hydroxy-3-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline-1-carbonitrile
SMILESCN1CC(C#N)C2(O)c3ccccc3CCC2C1
InChIInChI=1S/C15H18N2O/c1-17-9-12-7-6-11-4-2-3-5-14(11)15(12,18)13(8-16)10-17/h2-5,12-13,18H,6-7,9-10H2,1H3
InChIKeyNLKVUWURUUEGKV-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.52
Rot. Bonds

About 10b-hydroxy-3-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline-1-carbonitrile

10b-hydroxy-3-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline-1-carbonitrile (PubChem CID 3164170) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 10b-hydroxy-3-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline-1-carbonitrile.

Molecular Properties

Compound Name10b-hydroxy-3-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline-1-carbonitrile
PubChem CID3164170
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name10b-hydroxy-3-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline-1-carbonitrile
SMILESCN1CC(C#N)C2(O)c3ccccc3CCC2C1
InChIInChI=1S/C15H18N2O/c1-17-9-12-7-6-11-4-2-3-5-14(11)15(12,18)13(8-16)10-17/h2-5,12-13,18H,6-7,9-10H2,1H3
InChIKeyNLKVUWURUUEGKV-UHFFFAOYSA-N
XLogP1.52
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10b-hydroxy-3-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline-1-carbonitrile?
The IUPAC name of 10b-hydroxy-3-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline-1-carbonitrile (CID 3164170) is 10b-hydroxy-3-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline-1-carbonitrile.
What is the SMILES notation for 10b-hydroxy-3-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline-1-carbonitrile?
The canonical SMILES for 10b-hydroxy-3-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline-1-carbonitrile is CN1CC(C#N)C2(O)c3ccccc3CCC2C1.
What is the InChIKey of 10b-hydroxy-3-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline-1-carbonitrile?
The InChIKey is NLKVUWURUUEGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-17-9-12-7-6-11-4-2-3-5-14(11)15(12,18)13(8-16)10-17/h2-5,12-13,18H,6-7,9-10H2,1H3.
What are the key properties of 10b-hydroxy-3-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline-1-carbonitrile?
10b-hydroxy-3-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline-1-carbonitrile has a molecular weight of 242.32 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10b-hydroxy-3-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline-1-carbonitrile is sourced from PubChem (CID 3164170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).