cyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone

C14H17NO2 — CID 110712921

IUPACcyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESO=C(C1CCCC1)N1CCOc2ccccc21
InChIInChI=1S/C14H17NO2/c16-14(11-5-1-2-6-11)15-9-10-17-13-8-4-3-7-12(13)15/h3-4,7-8,11H,1-2,5-6,9-10H2
InChIKeyWOZQPHIFUUKYMY-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.60
Rot. Bonds1

About cyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone

cyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone (PubChem CID 110712921) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is cyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone.

Molecular Properties

Compound Namecyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
PubChem CID110712921
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Namecyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESO=C(C1CCCC1)N1CCOc2ccccc21
InChIInChI=1S/C14H17NO2/c16-14(11-5-1-2-6-11)15-9-10-17-13-8-4-3-7-12(13)15/h3-4,7-8,11H,1-2,5-6,9-10H2
InChIKeyWOZQPHIFUUKYMY-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1,4-benzoxazin-4-yl(piperidin-4-yl)methanone;hydrochloride
CID 119293291
2,3-dihydro-1,4-benzoxazin-4-yl(pyrrolidin-3-yl)methanone
CID 63005604
azepan-2-yl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 64563061
[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 98719085
2,3-dihydro-1,4-benzoxazin-4-yl-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone
CID 100800305
cyclopentyl-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 71901442
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 102892507
[(3R)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 100778027
(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-cyclopropylmethanone
CID 82285435
cyclohexyl-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 8944781
(3aS,7aS)-2-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98412866
cyclopentyl-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone
CID 167969671

Frequently Asked Questions

What is the IUPAC name of cyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The IUPAC name of cyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone (CID 110712921) is cyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone.
What is the SMILES notation for cyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The canonical SMILES for cyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone is O=C(C1CCCC1)N1CCOc2ccccc21.
What is the InChIKey of cyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The InChIKey is WOZQPHIFUUKYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14(11-5-1-2-6-11)15-9-10-17-13-8-4-3-7-12(13)15/h3-4,7-8,11H,1-2,5-6,9-10H2.
What are the key properties of cyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
cyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone has a molecular weight of 231.30 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone is sourced from PubChem (CID 110712921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).