carbamoyl 6-methyl-9H-carbazole-2-carboxylate

C15H12N2O3 — CID 144767331

IUPACcarbamoyl 6-methyl-9H-carbazole-2-carboxylate
SMILESCc1ccc2[nH]c3cc(C(=O)OC(N)=O)ccc3c2c1
InChIInChI=1S/C15H12N2O3/c1-8-2-5-12-11(6-8)10-4-3-9(7-13(10)17-12)14(18)20-15(16)19/h2-7,17H,1H3,(H2,16,19)
InChIKeyWQIVRFQZHDYYCX-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.87
Rot. Bonds1

About carbamoyl 6-methyl-9H-carbazole-2-carboxylate

carbamoyl 6-methyl-9H-carbazole-2-carboxylate (PubChem CID 144767331) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is carbamoyl 6-methyl-9H-carbazole-2-carboxylate.

Molecular Properties

Compound Namecarbamoyl 6-methyl-9H-carbazole-2-carboxylate
PubChem CID144767331
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Namecarbamoyl 6-methyl-9H-carbazole-2-carboxylate
SMILESCc1ccc2[nH]c3cc(C(=O)OC(N)=O)ccc3c2c1
InChIInChI=1S/C15H12N2O3/c1-8-2-5-12-11(6-8)10-4-3-9(7-13(10)17-12)14(18)20-15(16)19/h2-7,17H,1H3,(H2,16,19)
InChIKeyWQIVRFQZHDYYCX-UHFFFAOYSA-N
XLogP2.87
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3,6-dimethyl-9H-carbazole
CID 144942624
6-methyl-9H-carbazol-2-ol
CID 91665228
8-methyl-5,11-dihydroindolo[3,2-b]carbazol-2-amine
CID 123384681
3,9-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 59728395
2,7-dimethyl-10H-acridin-9-one
CID 13293445
methyl 3-amino-6-methyl-1H-indole-2-carboxylate
CID 4777916
methyl 2-amino-5-methyl-1H-indole-3-carboxylate
CID 112695143
ethyl 7-methyl-1,10-dihydropyrrolo[2,3-a]carbazole-2-carboxylate
CID 11358301
(6-methyl-2-oxo-1H-quinolin-4-yl) benzoate
CID 3267890
[2-(4-bromophenyl)-2-oxoethyl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate
CID 1217057
methyl 9H-carbazole-2-carboxylate;1-methylpyrrolidine
CID 143732942
ethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate
CID 19603453

Frequently Asked Questions

What is the IUPAC name of carbamoyl 6-methyl-9H-carbazole-2-carboxylate?
The IUPAC name of carbamoyl 6-methyl-9H-carbazole-2-carboxylate (CID 144767331) is carbamoyl 6-methyl-9H-carbazole-2-carboxylate.
What is the SMILES notation for carbamoyl 6-methyl-9H-carbazole-2-carboxylate?
The canonical SMILES for carbamoyl 6-methyl-9H-carbazole-2-carboxylate is Cc1ccc2[nH]c3cc(C(=O)OC(N)=O)ccc3c2c1.
What is the InChIKey of carbamoyl 6-methyl-9H-carbazole-2-carboxylate?
The InChIKey is WQIVRFQZHDYYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-8-2-5-12-11(6-8)10-4-3-9(7-13(10)17-12)14(18)20-15(16)19/h2-7,17H,1H3,(H2,16,19).
What are the key properties of carbamoyl 6-methyl-9H-carbazole-2-carboxylate?
carbamoyl 6-methyl-9H-carbazole-2-carboxylate has a molecular weight of 268.27 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 6-methyl-9H-carbazole-2-carboxylate is sourced from PubChem (CID 144767331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).