8-hydroxy-8-methyl-5,6,7,9-tetrahydrocarbazole-3-carbonitrile

C14H14N2O — CID 52947474

IUPAC8-hydroxy-8-methyl-5,6,7,9-tetrahydrocarbazole-3-carbonitrile
SMILESCC1(O)CCCc2c1[nH]c1ccc(C#N)cc21
InChIInChI=1S/C14H14N2O/c1-14(17)6-2-3-10-11-7-9(8-15)4-5-12(11)16-13(10)14/h4-5,7,16-17H,2-3,6H2,1H3
InChIKeyIICQMRDIWOGNKM-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.58
Rot. Bonds

About 8-hydroxy-8-methyl-5,6,7,9-tetrahydrocarbazole-3-carbonitrile

8-hydroxy-8-methyl-5,6,7,9-tetrahydrocarbazole-3-carbonitrile (PubChem CID 52947474) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 8-hydroxy-8-methyl-5,6,7,9-tetrahydrocarbazole-3-carbonitrile.

Molecular Properties

Compound Name8-hydroxy-8-methyl-5,6,7,9-tetrahydrocarbazole-3-carbonitrile
PubChem CID52947474
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name8-hydroxy-8-methyl-5,6,7,9-tetrahydrocarbazole-3-carbonitrile
SMILESCC1(O)CCCc2c1[nH]c1ccc(C#N)cc21
InChIInChI=1S/C14H14N2O/c1-14(17)6-2-3-10-11-7-9(8-15)4-5-12(11)16-13(10)14/h4-5,7,16-17H,2-3,6H2,1H3
InChIKeyIICQMRDIWOGNKM-UHFFFAOYSA-N
XLogP2.58
TPSA59.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-8-methyl-5,6,7,9-tetrahydrocarbazole-3-carbonitrile?
The IUPAC name of 8-hydroxy-8-methyl-5,6,7,9-tetrahydrocarbazole-3-carbonitrile (CID 52947474) is 8-hydroxy-8-methyl-5,6,7,9-tetrahydrocarbazole-3-carbonitrile.
What is the SMILES notation for 8-hydroxy-8-methyl-5,6,7,9-tetrahydrocarbazole-3-carbonitrile?
The canonical SMILES for 8-hydroxy-8-methyl-5,6,7,9-tetrahydrocarbazole-3-carbonitrile is CC1(O)CCCc2c1[nH]c1ccc(C#N)cc21.
What is the InChIKey of 8-hydroxy-8-methyl-5,6,7,9-tetrahydrocarbazole-3-carbonitrile?
The InChIKey is IICQMRDIWOGNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-14(17)6-2-3-10-11-7-9(8-15)4-5-12(11)16-13(10)14/h4-5,7,16-17H,2-3,6H2,1H3.
What are the key properties of 8-hydroxy-8-methyl-5,6,7,9-tetrahydrocarbazole-3-carbonitrile?
8-hydroxy-8-methyl-5,6,7,9-tetrahydrocarbazole-3-carbonitrile has a molecular weight of 226.28 g/mol, XLogP of 2.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-8-methyl-5,6,7,9-tetrahydrocarbazole-3-carbonitrile is sourced from PubChem (CID 52947474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).