6-(2-aminoethyl)-3-cyclopentyl-6,7-dihydro-5H-1,2-benzoxazol-4-one

C14H20N2O2 — CID 82383343

IUPAC6-(2-aminoethyl)-3-cyclopentyl-6,7-dihydro-5H-1,2-benzoxazol-4-one
SMILESNCCC1CC(=O)c2c(C3CCCC3)noc2C1
InChIInChI=1S/C14H20N2O2/c15-6-5-9-7-11(17)13-12(8-9)18-16-14(13)10-3-1-2-4-10/h9-10H,1-8,15H2
InChIKeyACHRYTSJXCYYGZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.43
Rot. Bonds3

About 6-(2-aminoethyl)-3-cyclopentyl-6,7-dihydro-5H-1,2-benzoxazol-4-one

6-(2-aminoethyl)-3-cyclopentyl-6,7-dihydro-5H-1,2-benzoxazol-4-one (PubChem CID 82383343) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-(2-aminoethyl)-3-cyclopentyl-6,7-dihydro-5H-1,2-benzoxazol-4-one.

Molecular Properties

Compound Name6-(2-aminoethyl)-3-cyclopentyl-6,7-dihydro-5H-1,2-benzoxazol-4-one
PubChem CID82383343
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name6-(2-aminoethyl)-3-cyclopentyl-6,7-dihydro-5H-1,2-benzoxazol-4-one
SMILESNCCC1CC(=O)c2c(C3CCCC3)noc2C1
InChIInChI=1S/C14H20N2O2/c15-6-5-9-7-11(17)13-12(8-9)18-16-14(13)10-3-1-2-4-10/h9-10H,1-8,15H2
InChIKeyACHRYTSJXCYYGZ-UHFFFAOYSA-N
XLogP2.43
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2-aminoethyl)-3-cyclopentyl-6,7-dihydro-5H-1,2-benzoxazol-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-Methyl-6,7-dihydro-1,2-benzisoxazol-4(5H)-one
CID 365021
6,6-Dimethyl-3-propyl-5,7-dihydro-1,2-benzoxazol-4-one
CID 749816
3,6,6-Trimethyl-5,6,7-trihydrobenzo[2,1-d]isoxazol-4-one
CID 939993
Cambridge id 5689964
CID 2259217
3-Undecyl-6,7-dihydro-1,2-benzisoxazol-4(5H)-one
CID 365019
3,6,6-Trimethyl-6,7-dihydrobenzo[2,1-d]isoxazole-4,5-dione
CID 4198700
6,7-Dihydro-3-(dec-9-enyl)-6,6-dimethylbenzo[d]-isoxazol-4(5h)-one
CID 132276465
6,6-Dimethyl-3-(trifluoromethyl)-5,7-dihydro-1,2-benzoxazol-4-one
CID 83861407
2-[3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl]ethanamine
CID 83861871
6-amino-3-(trifluoromethyl)-6,7-dihydro-5H-1,2-benzoxazol-4-one
CID 112485975
4,5,6,7-Tetrahydrobenz[d]isoxazole-4-one, 1-aminomethyl-
CID 579765
Indoxazen-4-one, 4,5,6,7-tetrahydro-3-tridecyl-
CID 586764

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-3-cyclopentyl-6,7-dihydro-5H-1,2-benzoxazol-4-one?
The IUPAC name of 6-(2-aminoethyl)-3-cyclopentyl-6,7-dihydro-5H-1,2-benzoxazol-4-one (CID 82383343) is 6-(2-aminoethyl)-3-cyclopentyl-6,7-dihydro-5H-1,2-benzoxazol-4-one.
What is the SMILES notation for 6-(2-aminoethyl)-3-cyclopentyl-6,7-dihydro-5H-1,2-benzoxazol-4-one?
The canonical SMILES for 6-(2-aminoethyl)-3-cyclopentyl-6,7-dihydro-5H-1,2-benzoxazol-4-one is NCCC1CC(=O)c2c(C3CCCC3)noc2C1.
What is the InChIKey of 6-(2-aminoethyl)-3-cyclopentyl-6,7-dihydro-5H-1,2-benzoxazol-4-one?
The InChIKey is ACHRYTSJXCYYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-6-5-9-7-11(17)13-12(8-9)18-16-14(13)10-3-1-2-4-10/h9-10H,1-8,15H2.
What are the key properties of 6-(2-aminoethyl)-3-cyclopentyl-6,7-dihydro-5H-1,2-benzoxazol-4-one?
6-(2-aminoethyl)-3-cyclopentyl-6,7-dihydro-5H-1,2-benzoxazol-4-one has a molecular weight of 248.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-3-cyclopentyl-6,7-dihydro-5H-1,2-benzoxazol-4-one is sourced from PubChem (CID 82383343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).