9-methyl-3-methylidene-1,2-dihydrocarbazol-4-one

C14H13NO — CID 11790505

IUPAC9-methyl-3-methylidene-1,2-dihydrocarbazol-4-one
SMILESC=C1CCc2c(c3ccccc3n2C)C1=O
InChIInChI=1S/C14H13NO/c1-9-7-8-12-13(14(9)16)10-5-3-4-6-11(10)15(12)2/h3-6H,1,7-8H2,2H3
InChIKeyAGQJDIDJKSFVTC-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.86
Rot. Bonds

About 9-methyl-3-methylidene-1,2-dihydrocarbazol-4-one

9-methyl-3-methylidene-1,2-dihydrocarbazol-4-one (PubChem CID 11790505) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 9-methyl-3-methylidene-1,2-dihydrocarbazol-4-one.

Molecular Properties

Compound Name9-methyl-3-methylidene-1,2-dihydrocarbazol-4-one
PubChem CID11790505
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name9-methyl-3-methylidene-1,2-dihydrocarbazol-4-one
SMILESC=C1CCc2c(c3ccccc3n2C)C1=O
InChIInChI=1S/C14H13NO/c1-9-7-8-12-13(14(9)16)10-5-3-4-6-11(10)15(12)2/h3-6H,1,7-8H2,2H3
InChIKeyAGQJDIDJKSFVTC-UHFFFAOYSA-N
XLogP2.86
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-methylidene-1,2-dihydrocarbazol-4-one?
The IUPAC name of 9-methyl-3-methylidene-1,2-dihydrocarbazol-4-one (CID 11790505) is 9-methyl-3-methylidene-1,2-dihydrocarbazol-4-one.
What is the SMILES notation for 9-methyl-3-methylidene-1,2-dihydrocarbazol-4-one?
The canonical SMILES for 9-methyl-3-methylidene-1,2-dihydrocarbazol-4-one is C=C1CCc2c(c3ccccc3n2C)C1=O.
What is the InChIKey of 9-methyl-3-methylidene-1,2-dihydrocarbazol-4-one?
The InChIKey is AGQJDIDJKSFVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-9-7-8-12-13(14(9)16)10-5-3-4-6-11(10)15(12)2/h3-6H,1,7-8H2,2H3.
What are the key properties of 9-methyl-3-methylidene-1,2-dihydrocarbazol-4-one?
9-methyl-3-methylidene-1,2-dihydrocarbazol-4-one has a molecular weight of 211.26 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-methylidene-1,2-dihydrocarbazol-4-one is sourced from PubChem (CID 11790505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).