5-(1-aminocyclopentyl)-4H-1,4-benzoxazin-3-one

C13H16N2O2 — CID 96599034

IUPAC5-(1-aminocyclopentyl)-4H-1,4-benzoxazin-3-one
SMILESNC1(c2cccc3c2NC(=O)CO3)CCCC1
InChIInChI=1S/C13H16N2O2/c14-13(6-1-2-7-13)9-4-3-5-10-12(9)15-11(16)8-17-10/h3-5H,1-2,6-8,14H2,(H,15,16)
InChIKeyWEDGKEPFHLPFQD-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.75
Rot. Bonds1

About 5-(1-aminocyclopentyl)-4H-1,4-benzoxazin-3-one

5-(1-aminocyclopentyl)-4H-1,4-benzoxazin-3-one (PubChem CID 96599034) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-(1-aminocyclopentyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name5-(1-aminocyclopentyl)-4H-1,4-benzoxazin-3-one
PubChem CID96599034
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-(1-aminocyclopentyl)-4H-1,4-benzoxazin-3-one
SMILESNC1(c2cccc3c2NC(=O)CO3)CCCC1
InChIInChI=1S/C13H16N2O2/c14-13(6-1-2-7-13)9-4-3-5-10-12(9)15-11(16)8-17-10/h3-5H,1-2,6-8,14H2,(H,15,16)
InChIKeyWEDGKEPFHLPFQD-UHFFFAOYSA-N
XLogP1.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-isocyanatocyclopentyl)-4H-1,4-benzoxazin-3-one
CID 117399155
5-fluoro-4H-1,4-benzoxazin-3-one
CID 54758768
1-[(3-oxo-4H-1,4-benzoxazin-5-yl)sulfanyl]cyclobutane-1-carboxylic acid
CID 127042547
5-(5-amino-1H-pyrazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 117332229
methyl 3-oxo-4H-1,4-benzoxazine-5-carboxylate
CID 59153381
(3-oxo-4H-1,4-benzoxazin-5-yl)methanesulfonyl chloride
CID 117408994
N-cyclohexyl-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699638
1-benzyl-3-(3-oxo-4H-1,4-benzoxazin-5-yl)urea
CID 110747359
N-(3-oxo-4H-1,4-benzoxazin-5-yl)propane-1-sulfonamide
CID 110713222
3-(3-oxo-4H-1,4-benzoxazin-5-yl)butanal
CID 117312039
3-amino-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide
CID 154768927
8-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-1,4-benzoxazin-3-one;hydrochloride
CID 120857319

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclopentyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 5-(1-aminocyclopentyl)-4H-1,4-benzoxazin-3-one (CID 96599034) is 5-(1-aminocyclopentyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 5-(1-aminocyclopentyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 5-(1-aminocyclopentyl)-4H-1,4-benzoxazin-3-one is NC1(c2cccc3c2NC(=O)CO3)CCCC1.
What is the InChIKey of 5-(1-aminocyclopentyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is WEDGKEPFHLPFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c14-13(6-1-2-7-13)9-4-3-5-10-12(9)15-11(16)8-17-10/h3-5H,1-2,6-8,14H2,(H,15,16).
What are the key properties of 5-(1-aminocyclopentyl)-4H-1,4-benzoxazin-3-one?
5-(1-aminocyclopentyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 232.28 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclopentyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 96599034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).