2-cyclohexyl-5-methyl-7,8,9,10-tetrahydrocyclohepta[b]indol-6-one

C20H25NO — CID 1267394

IUPAC2-cyclohexyl-5-methyl-7,8,9,10-tetrahydrocyclohepta[b]indol-6-one
SMILESCn1c2c(c3cc(C4CCCCC4)ccc31)CCCCC2=O
InChIInChI=1S/C20H25NO/c1-21-18-12-11-15(14-7-3-2-4-8-14)13-17(18)16-9-5-6-10-19(22)20(16)21/h11-14H,2-10H2,1H3
InChIKeyJJEYNUVCDJNEEK-UHFFFAOYSA-N
MW295.43 g/mol
LogP5.14
Rot. Bonds1

About 2-cyclohexyl-5-methyl-7,8,9,10-tetrahydrocyclohepta[b]indol-6-one

2-cyclohexyl-5-methyl-7,8,9,10-tetrahydrocyclohepta[b]indol-6-one (PubChem CID 1267394) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-cyclohexyl-5-methyl-7,8,9,10-tetrahydrocyclohepta[b]indol-6-one.

Molecular Properties

Compound Name2-cyclohexyl-5-methyl-7,8,9,10-tetrahydrocyclohepta[b]indol-6-one
PubChem CID1267394
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-cyclohexyl-5-methyl-7,8,9,10-tetrahydrocyclohepta[b]indol-6-one
SMILESCn1c2c(c3cc(C4CCCCC4)ccc31)CCCCC2=O
InChIInChI=1S/C20H25NO/c1-21-18-12-11-15(14-7-3-2-4-8-14)13-17(18)16-9-5-6-10-19(22)20(16)21/h11-14H,2-10H2,1H3
InChIKeyJJEYNUVCDJNEEK-UHFFFAOYSA-N
XLogP5.14
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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CID 44397465
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CID 44397635
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CID 44368310
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CID 610666
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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methyl-7,8,9,10-tetrahydrocyclohepta[b]indol-6-one?
The IUPAC name of 2-cyclohexyl-5-methyl-7,8,9,10-tetrahydrocyclohepta[b]indol-6-one (CID 1267394) is 2-cyclohexyl-5-methyl-7,8,9,10-tetrahydrocyclohepta[b]indol-6-one.
What is the SMILES notation for 2-cyclohexyl-5-methyl-7,8,9,10-tetrahydrocyclohepta[b]indol-6-one?
The canonical SMILES for 2-cyclohexyl-5-methyl-7,8,9,10-tetrahydrocyclohepta[b]indol-6-one is Cn1c2c(c3cc(C4CCCCC4)ccc31)CCCCC2=O.
What is the InChIKey of 2-cyclohexyl-5-methyl-7,8,9,10-tetrahydrocyclohepta[b]indol-6-one?
The InChIKey is JJEYNUVCDJNEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-21-18-12-11-15(14-7-3-2-4-8-14)13-17(18)16-9-5-6-10-19(22)20(16)21/h11-14H,2-10H2,1H3.
What are the key properties of 2-cyclohexyl-5-methyl-7,8,9,10-tetrahydrocyclohepta[b]indol-6-one?
2-cyclohexyl-5-methyl-7,8,9,10-tetrahydrocyclohepta[b]indol-6-one has a molecular weight of 295.43 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methyl-7,8,9,10-tetrahydrocyclohepta[b]indol-6-one is sourced from PubChem (CID 1267394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).