(6R,10R)-2-chloro-10-methyl-6-phenyl-6,7,9,10-tetrahydro-5H-cyclohepta[b]indol-8-one

C20H18ClNO — CID 102287135

IUPAC(6R,10R)-2-chloro-10-methyl-6-phenyl-6,7,9,10-tetrahydro-5H-cyclohepta[b]indol-8-one
SMILESC[C@@H]1CC(=O)C[C@H](c2ccccc2)c2[nH]c3ccc(Cl)cc3c21
InChIInChI=1S/C20H18ClNO/c1-12-9-15(23)11-16(13-5-3-2-4-6-13)20-19(12)17-10-14(21)7-8-18(17)22-20/h2-8,10,12,16,22H,9,11H2,1H3/t12-,16-/m1/s1
InChIKeyNHMLHXNZFVRDQZ-MLGOLLRUSA-N
MW323.82 g/mol
LogP5.42
Rot. Bonds1

About (6R,10R)-2-chloro-10-methyl-6-phenyl-6,7,9,10-tetrahydro-5H-cyclohepta[b]indol-8-one

(6R,10R)-2-chloro-10-methyl-6-phenyl-6,7,9,10-tetrahydro-5H-cyclohepta[b]indol-8-one (PubChem CID 102287135) has the molecular formula C20H18ClNO and a molecular weight of 323.82 g/mol. Its IUPAC name is (6R,10R)-2-chloro-10-methyl-6-phenyl-6,7,9,10-tetrahydro-5H-cyclohepta[b]indol-8-one.

Molecular Properties

Compound Name(6R,10R)-2-chloro-10-methyl-6-phenyl-6,7,9,10-tetrahydro-5H-cyclohepta[b]indol-8-one
PubChem CID102287135
Molecular FormulaC20H18ClNO
Molecular Weight323.82 g/mol
Exact Mass323.11
IUPAC Name(6R,10R)-2-chloro-10-methyl-6-phenyl-6,7,9,10-tetrahydro-5H-cyclohepta[b]indol-8-one
SMILESC[C@@H]1CC(=O)C[C@H](c2ccccc2)c2[nH]c3ccc(Cl)cc3c21
InChIInChI=1S/C20H18ClNO/c1-12-9-15(23)11-16(13-5-3-2-4-6-13)20-19(12)17-10-14(21)7-8-18(17)22-20/h2-8,10,12,16,22H,9,11H2,1H3/t12-,16-/m1/s1
InChIKeyNHMLHXNZFVRDQZ-MLGOLLRUSA-N
XLogP5.42
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.82
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (6R,10R)-2-chloro-10-methyl-6-phenyl-6,7,9,10-tetrahydro-5H-cyclohepta[b]indol-8-one with MolForge

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Related Compounds

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CID 121437743
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Frequently Asked Questions

What is the IUPAC name of (6R,10R)-2-chloro-10-methyl-6-phenyl-6,7,9,10-tetrahydro-5H-cyclohepta[b]indol-8-one?
The IUPAC name of (6R,10R)-2-chloro-10-methyl-6-phenyl-6,7,9,10-tetrahydro-5H-cyclohepta[b]indol-8-one (CID 102287135) is (6R,10R)-2-chloro-10-methyl-6-phenyl-6,7,9,10-tetrahydro-5H-cyclohepta[b]indol-8-one.
What is the SMILES notation for (6R,10R)-2-chloro-10-methyl-6-phenyl-6,7,9,10-tetrahydro-5H-cyclohepta[b]indol-8-one?
The canonical SMILES for (6R,10R)-2-chloro-10-methyl-6-phenyl-6,7,9,10-tetrahydro-5H-cyclohepta[b]indol-8-one is C[C@@H]1CC(=O)C[C@H](c2ccccc2)c2[nH]c3ccc(Cl)cc3c21.
What is the InChIKey of (6R,10R)-2-chloro-10-methyl-6-phenyl-6,7,9,10-tetrahydro-5H-cyclohepta[b]indol-8-one?
The InChIKey is NHMLHXNZFVRDQZ-MLGOLLRUSA-N. The full InChI is InChI=1S/C20H18ClNO/c1-12-9-15(23)11-16(13-5-3-2-4-6-13)20-19(12)17-10-14(21)7-8-18(17)22-20/h2-8,10,12,16,22H,9,11H2,1H3/t12-,16-/m1/s1.
What are the key properties of (6R,10R)-2-chloro-10-methyl-6-phenyl-6,7,9,10-tetrahydro-5H-cyclohepta[b]indol-8-one?
(6R,10R)-2-chloro-10-methyl-6-phenyl-6,7,9,10-tetrahydro-5H-cyclohepta[b]indol-8-one has a molecular weight of 323.82 g/mol, XLogP of 5.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,10R)-2-chloro-10-methyl-6-phenyl-6,7,9,10-tetrahydro-5H-cyclohepta[b]indol-8-one is sourced from PubChem (CID 102287135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).