(7-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl)carbamic acid

C12H14N2O4 — CID 138688553

IUPAC(7-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl)carbamic acid
SMILESCOc1ccc2c(c1)CC(NC(=O)O)CC(=O)N2
InChIInChI=1S/C12H14N2O4/c1-18-9-2-3-10-7(5-9)4-8(13-12(16)17)6-11(15)14-10/h2-3,5,8,13H,4,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyMIJGVPZZAZROCZ-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.22
Rot. Bonds2

About (7-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl)carbamic acid

(7-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl)carbamic acid (PubChem CID 138688553) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is (7-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl)carbamic acid.

Molecular Properties

Compound Name(7-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl)carbamic acid
PubChem CID138688553
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name(7-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl)carbamic acid
SMILESCOc1ccc2c(c1)CC(NC(=O)O)CC(=O)N2
InChIInChI=1S/C12H14N2O4/c1-18-9-2-3-10-7(5-9)4-8(13-12(16)17)6-11(15)14-10/h2-3,5,8,13H,4,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyMIJGVPZZAZROCZ-UHFFFAOYSA-N
XLogP1.22
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2,4-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
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5-methoxy-1,3-dihydroindol-2-one;2,2,2-trichloroethane-1,1-diol
CID 158837669
ethyl 4-[[(4S)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]piperidine-1-carboxylate
CID 97124904
ethyl (3R)-6-methoxy-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate
CID 166139289
5-methoxy-N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 70908053
(2R)-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334379
tert-butyl N-[6-(3-methoxyphenoxy)-2-sulfanylidene-3,4-dihydro-1H-quinolin-3-yl]carbamate
CID 123689220
[4-(2-fluoro-4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamic acid
CID 134347497
6-methoxy-4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 70777457
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of (7-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl)carbamic acid?
The IUPAC name of (7-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl)carbamic acid (CID 138688553) is (7-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl)carbamic acid.
What is the SMILES notation for (7-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl)carbamic acid?
The canonical SMILES for (7-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl)carbamic acid is COc1ccc2c(c1)CC(NC(=O)O)CC(=O)N2.
What is the InChIKey of (7-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl)carbamic acid?
The InChIKey is MIJGVPZZAZROCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-18-9-2-3-10-7(5-9)4-8(13-12(16)17)6-11(15)14-10/h2-3,5,8,13H,4,6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of (7-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl)carbamic acid?
(7-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl)carbamic acid has a molecular weight of 250.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl)carbamic acid is sourced from PubChem (CID 138688553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).