6-[[(2-hydroxycyclopentyl)methylamino]methyl]-4H-1,4-benzoxazin-3-one

C15H20N2O3 — CID 103075647

IUPAC6-[[(2-hydroxycyclopentyl)methylamino]methyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(CNCC3CCCC3O)cc2N1
InChIInChI=1S/C15H20N2O3/c18-13-3-1-2-11(13)8-16-7-10-4-5-14-12(6-10)17-15(19)9-20-14/h4-6,11,13,16,18H,1-3,7-9H2,(H,17,19)
InChIKeyFNOWYKLOLCXCIQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.27
Rot. Bonds4

About 6-[[(2-hydroxycyclopentyl)methylamino]methyl]-4H-1,4-benzoxazin-3-one

6-[[(2-hydroxycyclopentyl)methylamino]methyl]-4H-1,4-benzoxazin-3-one (PubChem CID 103075647) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-[[(2-hydroxycyclopentyl)methylamino]methyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[[(2-hydroxycyclopentyl)methylamino]methyl]-4H-1,4-benzoxazin-3-one
PubChem CID103075647
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-[[(2-hydroxycyclopentyl)methylamino]methyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(CNCC3CCCC3O)cc2N1
InChIInChI=1S/C15H20N2O3/c18-13-3-1-2-11(13)8-16-7-10-4-5-14-12(6-10)17-15(19)9-20-14/h4-6,11,13,16,18H,1-3,7-9H2,(H,17,19)
InChIKeyFNOWYKLOLCXCIQ-UHFFFAOYSA-N
XLogP1.27
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[(1-methylpiperidin-2-yl)methylamino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075519
6-[(cyclohexylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 66716661
2-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]ethylurea
CID 103075743
6-[(2-methylprop-2-enylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075841
6-[[(2-oxopiperidin-3-yl)amino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075541
6-[(prop-2-enylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075246
6-[(cyclopentyloxyamino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075747
6-[2-(azetidin-3-ylmethylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 115207809
6-[(3,3-dimethylbutylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075822
6-[(2-phenylethylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075286
N-ethyl-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]acetamide
CID 103075401
6-[(3-methylsulfanylpropylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075592

Frequently Asked Questions

What is the IUPAC name of 6-[[(2-hydroxycyclopentyl)methylamino]methyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[[(2-hydroxycyclopentyl)methylamino]methyl]-4H-1,4-benzoxazin-3-one (CID 103075647) is 6-[[(2-hydroxycyclopentyl)methylamino]methyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[[(2-hydroxycyclopentyl)methylamino]methyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[[(2-hydroxycyclopentyl)methylamino]methyl]-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(CNCC3CCCC3O)cc2N1.
What is the InChIKey of 6-[[(2-hydroxycyclopentyl)methylamino]methyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is FNOWYKLOLCXCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-13-3-1-2-11(13)8-16-7-10-4-5-14-12(6-10)17-15(19)9-20-14/h4-6,11,13,16,18H,1-3,7-9H2,(H,17,19).
What are the key properties of 6-[[(2-hydroxycyclopentyl)methylamino]methyl]-4H-1,4-benzoxazin-3-one?
6-[[(2-hydroxycyclopentyl)methylamino]methyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 276.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2-hydroxycyclopentyl)methylamino]methyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 103075647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).