cyclopentyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

C14H17NO3 — CID 61279622

IUPACcyclopentyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
SMILESO=C(OC1CCCC1)C1CNc2ccccc2O1
InChIInChI=1S/C14H17NO3/c16-14(17-10-5-1-2-6-10)13-9-15-11-7-3-4-8-12(11)18-13/h3-4,7-8,10,13,15H,1-2,5-6,9H2
InChIKeyZGYJTPPSEVUFIV-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.35
Rot. Bonds2

About cyclopentyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

cyclopentyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate (PubChem CID 61279622) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is cyclopentyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate.

Molecular Properties

Compound Namecyclopentyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
PubChem CID61279622
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namecyclopentyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
SMILESO=C(OC1CCCC1)C1CNc2ccccc2O1
InChIInChI=1S/C14H17NO3/c16-14(17-10-5-1-2-6-10)13-9-15-11-7-3-4-8-12(11)18-13/h3-4,7-8,10,13,15H,1-2,5-6,9H2
InChIKeyZGYJTPPSEVUFIV-UHFFFAOYSA-N
XLogP2.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,4-dimethylcyclohexyl) 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 114341443
N-cyclopentyloxy-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 83235668
methyl (2R)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 2090947
(2S)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 7020375
N-(cyclobutylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43298737
cyclohexyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902751
(2S)-1-(3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl)piperidine-2-carboxylic acid
CID 66264791
2-(cyclopentyloxymethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 117051051
3,4-dihydro-2H-1,4-benzoxazin-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220579
1-(3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61159517
3,4-dihydro-2H-1,4-benzoxazin-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107217725
1-(3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl)pyrrolidine-2-carboxamide
CID 43212175

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The IUPAC name of cyclopentyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate (CID 61279622) is cyclopentyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate.
What is the SMILES notation for cyclopentyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The canonical SMILES for cyclopentyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is O=C(OC1CCCC1)C1CNc2ccccc2O1.
What is the InChIKey of cyclopentyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The InChIKey is ZGYJTPPSEVUFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-14(17-10-5-1-2-6-10)13-9-15-11-7-3-4-8-12(11)18-13/h3-4,7-8,10,13,15H,1-2,5-6,9H2.
What are the key properties of cyclopentyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
cyclopentyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is sourced from PubChem (CID 61279622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).