9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5,8,8a-hexahydrocarbazole

C19H23N — CID 90047806

IUPAC9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5,8,8a-hexahydrocarbazole
SMILESCC1C=CC(N2C3=C(C=CCC3)C3CC=CCC32)=CC1
InChIInChI=1S/C19H23N/c1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-4,7,10,12-14,16,18H,5-6,8-9,11H2,1H3
InChIKeyJLNLQHIHADLCCV-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.72
Rot. Bonds1

About 9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5,8,8a-hexahydrocarbazole

9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5,8,8a-hexahydrocarbazole (PubChem CID 90047806) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5,8,8a-hexahydrocarbazole.

Molecular Properties

Compound Name9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5,8,8a-hexahydrocarbazole
PubChem CID90047806
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5,8,8a-hexahydrocarbazole
SMILESCC1C=CC(N2C3=C(C=CCC3)C3CC=CCC32)=CC1
InChIInChI=1S/C19H23N/c1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-4,7,10,12-14,16,18H,5-6,8-9,11H2,1H3
InChIKeyJLNLQHIHADLCCV-UHFFFAOYSA-N
XLogP4.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5,8,8a-hexahydrocarbazole?
The IUPAC name of 9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5,8,8a-hexahydrocarbazole (CID 90047806) is 9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5,8,8a-hexahydrocarbazole.
What is the SMILES notation for 9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5,8,8a-hexahydrocarbazole?
The canonical SMILES for 9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5,8,8a-hexahydrocarbazole is CC1C=CC(N2C3=C(C=CCC3)C3CC=CCC32)=CC1.
What is the InChIKey of 9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5,8,8a-hexahydrocarbazole?
The InChIKey is JLNLQHIHADLCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-4,7,10,12-14,16,18H,5-6,8-9,11H2,1H3.
What are the key properties of 9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5,8,8a-hexahydrocarbazole?
9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5,8,8a-hexahydrocarbazole has a molecular weight of 265.40 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5,8,8a-hexahydrocarbazole is sourced from PubChem (CID 90047806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).