N,N-dimethyl-11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxamide

C16H16N2O2 — CID 13152891

IUPACN,N-dimethyl-11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxamide
SMILESCN(C)C(=O)c1cc2n(c1)CCc1ccccc1C2=O
InChIInChI=1S/C16H16N2O2/c1-17(2)16(20)12-9-14-15(19)13-6-4-3-5-11(13)7-8-18(14)10-12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyQKJVHFCJGXYHNX-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.98
Rot. Bonds1

About N,N-dimethyl-11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxamide

N,N-dimethyl-11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxamide (PubChem CID 13152891) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N,N-dimethyl-11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxamide
PubChem CID13152891
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN,N-dimethyl-11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxamide
SMILESCN(C)C(=O)c1cc2n(c1)CCc1ccccc1C2=O
InChIInChI=1S/C16H16N2O2/c1-17(2)16(20)12-9-14-15(19)13-6-4-3-5-11(13)7-8-18(14)10-12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyQKJVHFCJGXYHNX-UHFFFAOYSA-N
XLogP1.98
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxamide?
The IUPAC name of N,N-dimethyl-11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxamide (CID 13152891) is N,N-dimethyl-11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxamide is CN(C)C(=O)c1cc2n(c1)CCc1ccccc1C2=O.
What is the InChIKey of N,N-dimethyl-11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxamide?
The InChIKey is QKJVHFCJGXYHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-17(2)16(20)12-9-14-15(19)13-6-4-3-5-11(13)7-8-18(14)10-12/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of N,N-dimethyl-11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxamide?
N,N-dimethyl-11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxamide is sourced from PubChem (CID 13152891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).