methyl 11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxylate

C15H13NO3 — CID 13152889

IUPACmethyl 11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxylate
SMILESCOC(=O)c1cc2n(c1)CCc1ccccc1C2=O
InChIInChI=1S/C15H13NO3/c1-19-15(18)11-8-13-14(17)12-5-3-2-4-10(12)6-7-16(13)9-11/h2-5,8-9H,6-7H2,1H3
InChIKeyLBLZLQIZWNLVJG-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.06
Rot. Bonds1

About methyl 11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxylate

methyl 11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxylate (PubChem CID 13152889) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxylate.

Molecular Properties

Compound Namemethyl 11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxylate
PubChem CID13152889
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Namemethyl 11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxylate
SMILESCOC(=O)c1cc2n(c1)CCc1ccccc1C2=O
InChIInChI=1S/C15H13NO3/c1-19-15(18)11-8-13-14(17)12-5-3-2-4-10(12)6-7-16(13)9-11/h2-5,8-9H,6-7H2,1H3
InChIKeyLBLZLQIZWNLVJG-UHFFFAOYSA-N
XLogP2.06
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxamide
CID 13152891
methyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate
CID 18998711
methyl 4-oxo-2,3,6,7-tetrahydrobenzo[a]quinolizine-1-carboxylate
CID 10825029
ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate
CID 89464710
methyl 4-amino-3-(2,3-dihydroindol-1-yl)benzoate
CID 82785876
methyl 11-phenylmethoxy-5,6-dihydropyrrolo[1,2-d][1,4]benzoxazepine-2-carboxylate
CID 177195833
ethane;methyl 3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylate
CID 91090693
methyl 6,11-dihydro-5H-benzo[a]carbazole-8-carboxylate
CID 154810461
methyl 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-nitro-6-oxopyridine-3-carboxylate
CID 55667375
12-cyclohexyl-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid;methyl 12-cyclohexyl-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylate
CID 157061369
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450

Frequently Asked Questions

What is the IUPAC name of methyl 11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxylate?
The IUPAC name of methyl 11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxylate (CID 13152889) is methyl 11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxylate.
What is the SMILES notation for methyl 11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxylate?
The canonical SMILES for methyl 11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxylate is COC(=O)c1cc2n(c1)CCc1ccccc1C2=O.
What is the InChIKey of methyl 11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxylate?
The InChIKey is LBLZLQIZWNLVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-19-15(18)11-8-13-14(17)12-5-3-2-4-10(12)6-7-16(13)9-11/h2-5,8-9H,6-7H2,1H3.
What are the key properties of methyl 11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxylate?
methyl 11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxylate has a molecular weight of 255.27 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxylate is sourced from PubChem (CID 13152889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).