6-methoxy-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one

C14H19NO2 — CID 58575678

IUPAC6-methoxy-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCOc1cccc2c1CCCC(=O)N2C(C)C
InChIInChI=1S/C14H19NO2/c1-10(2)15-12-7-5-8-13(17-3)11(12)6-4-9-14(15)16/h5,7-8,10H,4,6,9H2,1-3H3
InChIKeyCDLAHDAWNJJVHY-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.77
Rot. Bonds2

About 6-methoxy-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one

6-methoxy-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 58575678) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-methoxy-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name6-methoxy-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID58575678
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name6-methoxy-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCOc1cccc2c1CCCC(=O)N2C(C)C
InChIInChI=1S/C14H19NO2/c1-10(2)15-12-7-5-8-13(17-3)11(12)6-4-9-14(15)16/h5,7-8,10H,4,6,9H2,1-3H3
InChIKeyCDLAHDAWNJJVHY-UHFFFAOYSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methylsulfanyl-1-propan-2-yl-3,4-dihydroquinolin-2-one
CID 135200247
1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one
CID 176690662
4-methoxy-1-methyl-3H-indol-2-one
CID 12713031
(2S)-2-amino-1-(4-methoxy-2,3-dihydroindol-1-yl)propan-1-one
CID 129494804
(2R)-1-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-pyrimidin-5-ylpropan-1-one
CID 164636211
5-methoxy-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 115094901
4-methoxy-1-phenyl-3H-indol-2-one
CID 12777165
5-methoxy-1-methyl-3,4-dihydro-2H-cinnoline
CID 66847065
6-methoxy-1-propan-2-yl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 113393211
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
1-(2,6-dimethoxyphenyl)azepan-2-one
CID 172766887
8-methoxy-3,4-dihydro-1H-naphthalen-2-one
CID 4136021

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 6-methoxy-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one (CID 58575678) is 6-methoxy-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 6-methoxy-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 6-methoxy-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one is COc1cccc2c1CCCC(=O)N2C(C)C.
What is the InChIKey of 6-methoxy-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is CDLAHDAWNJJVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(2)15-12-7-5-8-13(17-3)11(12)6-4-9-14(15)16/h5,7-8,10H,4,6,9H2,1-3H3.
What are the key properties of 6-methoxy-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one?
6-methoxy-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 58575678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).