4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxamide

C14H14N2O2 — CID 91435648

IUPAC4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxamide
SMILESCC1(C(N)=O)OCc2ccccc2-n2cccc21
InChIInChI=1S/C14H14N2O2/c1-14(13(15)17)12-7-4-8-16(12)11-6-3-2-5-10(11)9-18-14/h2-8H,9H2,1H3,(H2,15,17)
InChIKeyDZPLPJGCGQPLSE-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.71
Rot. Bonds1

About 4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxamide

4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxamide (PubChem CID 91435648) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxamide
PubChem CID91435648
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxamide
SMILESCC1(C(N)=O)OCc2ccccc2-n2cccc21
InChIInChI=1S/C14H14N2O2/c1-14(13(15)17)12-7-4-8-16(12)11-6-3-2-5-10(11)9-18-14/h2-8H,9H2,1H3,(H2,15,17)
InChIKeyDZPLPJGCGQPLSE-UHFFFAOYSA-N
XLogP1.71
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-4-phenyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine
CID 14926383
(1-methylindol-2-yl)-[2-(4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 3411368
[2-(4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 3849936
(E)-but-2-enedioic acid;3-[1-[(4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 14171586
4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepine
CID 12691719
spiro[5H-pyrrolo[1,2-a]quinoxaline-4,1'-cyclopropane]
CID 154709221
1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylpropan-1-one
CID 53005079
1-methyl-6,14,17-triazatetracyclo[12.4.0.02,6.08,13]octadeca-2,4,8,10,12-pentaene-17-carboxamide
CID 54547215
1-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-5'-ylpropan-1-one
CID 92585524
methyl 2-(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)propanoate
CID 46357467
1-(2,2-dimethyl-3H-indol-1-yl)ethanone
CID 22217727
3-[1-[(8-chloro-4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 70415412

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxamide?
The IUPAC name of 4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxamide (CID 91435648) is 4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxamide.
What is the SMILES notation for 4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxamide?
The canonical SMILES for 4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxamide is CC1(C(N)=O)OCc2ccccc2-n2cccc21.
What is the InChIKey of 4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxamide?
The InChIKey is DZPLPJGCGQPLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-14(13(15)17)12-7-4-8-16(12)11-6-3-2-5-10(11)9-18-14/h2-8H,9H2,1H3,(H2,15,17).
What are the key properties of 4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxamide?
4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxamide is sourced from PubChem (CID 91435648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).