2-chloro-1-(8-methyl-2,4-dihydro-3,1-benzoxazin-1-yl)ethanone

C11H12ClNO2 — CID 21427765

IUPAC2-chloro-1-(8-methyl-2,4-dihydro-3,1-benzoxazin-1-yl)ethanone
SMILESCc1cccc2c1N(C(=O)CCl)COC2
InChIInChI=1S/C11H12ClNO2/c1-8-3-2-4-9-6-15-7-13(11(8)9)10(14)5-12/h2-4H,5-7H2,1H3
InChIKeyVZVRUGSCPHHTSH-UHFFFAOYSA-N
MW225.67 g/mol
LogP2.05
Rot. Bonds1

About 2-chloro-1-(8-methyl-2,4-dihydro-3,1-benzoxazin-1-yl)ethanone

2-chloro-1-(8-methyl-2,4-dihydro-3,1-benzoxazin-1-yl)ethanone (PubChem CID 21427765) has the molecular formula C11H12ClNO2 and a molecular weight of 225.67 g/mol. Its IUPAC name is 2-chloro-1-(8-methyl-2,4-dihydro-3,1-benzoxazin-1-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(8-methyl-2,4-dihydro-3,1-benzoxazin-1-yl)ethanone
PubChem CID21427765
Molecular FormulaC11H12ClNO2
Molecular Weight225.67 g/mol
Exact Mass225.06
IUPAC Name2-chloro-1-(8-methyl-2,4-dihydro-3,1-benzoxazin-1-yl)ethanone
SMILESCc1cccc2c1N(C(=O)CCl)COC2
InChIInChI=1S/C11H12ClNO2/c1-8-3-2-4-9-6-15-7-13(11(8)9)10(14)5-12/h2-4H,5-7H2,1H3
InChIKeyVZVRUGSCPHHTSH-UHFFFAOYSA-N
XLogP2.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.67
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 23566601
2-chloro-1-(7-chloro-2,3-dihydroindol-1-yl)ethanone
CID 166404156
1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 60704653
1-(7-bromo-2,3-dihydroindol-1-yl)-2-chloroethanone
CID 166407068
2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 60721467
7-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one
CID 51289110
N,N,7-trimethyl-2,3-dihydroindole-1-carboxamide
CID 167015485
[4-(aminomethyl)oxan-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115439469
1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 51289186
2-[(4,5-dimethyl-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 24900710
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone
CID 97072547
2-chloro-1-(11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl)ethanone
CID 125472514

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(8-methyl-2,4-dihydro-3,1-benzoxazin-1-yl)ethanone?
The IUPAC name of 2-chloro-1-(8-methyl-2,4-dihydro-3,1-benzoxazin-1-yl)ethanone (CID 21427765) is 2-chloro-1-(8-methyl-2,4-dihydro-3,1-benzoxazin-1-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(8-methyl-2,4-dihydro-3,1-benzoxazin-1-yl)ethanone?
The canonical SMILES for 2-chloro-1-(8-methyl-2,4-dihydro-3,1-benzoxazin-1-yl)ethanone is Cc1cccc2c1N(C(=O)CCl)COC2.
What is the InChIKey of 2-chloro-1-(8-methyl-2,4-dihydro-3,1-benzoxazin-1-yl)ethanone?
The InChIKey is VZVRUGSCPHHTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-8-3-2-4-9-6-15-7-13(11(8)9)10(14)5-12/h2-4H,5-7H2,1H3.
What are the key properties of 2-chloro-1-(8-methyl-2,4-dihydro-3,1-benzoxazin-1-yl)ethanone?
2-chloro-1-(8-methyl-2,4-dihydro-3,1-benzoxazin-1-yl)ethanone has a molecular weight of 225.67 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(8-methyl-2,4-dihydro-3,1-benzoxazin-1-yl)ethanone is sourced from PubChem (CID 21427765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).