6-[1-(cyclopentylamino)ethyl]-4H-1,4-benzoxazin-3-one

C15H20N2O2 — CID 43200721

IUPAC6-[1-(cyclopentylamino)ethyl]-4H-1,4-benzoxazin-3-one
SMILESCC(NC1CCCC1)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C15H20N2O2/c1-10(16-12-4-2-3-5-12)11-6-7-14-13(8-11)17-15(18)9-19-14/h6-8,10,12,16H,2-5,9H2,1H3,(H,17,18)
InChIKeyQGKBIIQVMFCHAL-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.61
Rot. Bonds3

About 6-[1-(cyclopentylamino)ethyl]-4H-1,4-benzoxazin-3-one

6-[1-(cyclopentylamino)ethyl]-4H-1,4-benzoxazin-3-one (PubChem CID 43200721) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-[1-(cyclopentylamino)ethyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[1-(cyclopentylamino)ethyl]-4H-1,4-benzoxazin-3-one
PubChem CID43200721
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name6-[1-(cyclopentylamino)ethyl]-4H-1,4-benzoxazin-3-one
SMILESCC(NC1CCCC1)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C15H20N2O2/c1-10(16-12-4-2-3-5-12)11-6-7-14-13(8-11)17-15(18)9-19-14/h6-8,10,12,16H,2-5,9H2,1H3,(H,17,18)
InChIKeyQGKBIIQVMFCHAL-UHFFFAOYSA-N
XLogP2.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-(oxan-4-ylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 43609607
6-[1-[(3,3-dimethylcyclopentyl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 104530994
6-[1-[(1,1-dioxothiolan-3-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 43098081
6-[1-[(3-methoxycyclobutyl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 104871419
6-[1-[(2-methyloxan-4-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 103910296
6-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 64907786
6-[1-[[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 126935774
6-[amino(cyclooctyl)methyl]-4H-1,4-benzoxazin-3-one
CID 65018254
6-[1-(thiolan-3-ylmethylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 107165855
6-[1-(but-3-yn-2-ylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 114415203
N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]prop-2-enamide
CID 166407009
6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 47003494

Frequently Asked Questions

What is the IUPAC name of 6-[1-(cyclopentylamino)ethyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[1-(cyclopentylamino)ethyl]-4H-1,4-benzoxazin-3-one (CID 43200721) is 6-[1-(cyclopentylamino)ethyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[1-(cyclopentylamino)ethyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[1-(cyclopentylamino)ethyl]-4H-1,4-benzoxazin-3-one is CC(NC1CCCC1)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 6-[1-(cyclopentylamino)ethyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is QGKBIIQVMFCHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(16-12-4-2-3-5-12)11-6-7-14-13(8-11)17-15(18)9-19-14/h6-8,10,12,16H,2-5,9H2,1H3,(H,17,18).
What are the key properties of 6-[1-(cyclopentylamino)ethyl]-4H-1,4-benzoxazin-3-one?
6-[1-(cyclopentylamino)ethyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 260.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(cyclopentylamino)ethyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 43200721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).