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

C10H14N2O2 — CID 82401265

IUPAC6-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-one
SMILESCc1noc2c1C(=O)CC(CCN)C2
InChIInChI=1S/C10H14N2O2/c1-6-10-8(13)4-7(2-3-11)5-9(10)14-12-6/h7H,2-5,11H2,1H3
InChIKeyJKKHSAIQCIZPKV-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.08
Rot. Bonds2

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

6-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-one (PubChem CID 82401265) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 6-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-one.

Molecular Properties

Compound Name6-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-one
PubChem CID82401265
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name6-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-one
SMILESCc1noc2c1C(=O)CC(CCN)C2
InChIInChI=1S/C10H14N2O2/c1-6-10-8(13)4-7(2-3-11)5-9(10)14-12-6/h7H,2-5,11H2,1H3
InChIKeyJKKHSAIQCIZPKV-UHFFFAOYSA-N
XLogP1.08
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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[1,2-c]isoxazol-4-one
CID 792864
3,6,6-Trimethyl-5,6,7-trihydrobenzo[2,1-d]isoxazol-4-one
CID 939993
6,6-Dimethyl-3-(trifluoromethyl)-6,7-dihydrobenzo[d]isoxazole-4,5-dione
CID 171919129
Cambridge id 5689964
CID 2259217
(4Z)-N-hydroxy-6,6-dimethyl-3-propyl-6,7-dihydro-1,2-benzoxazol-4(5H)-imine
CID 5407245
3-Undecyl-6,7-dihydro-1,2-benzisoxazol-4(5H)-one
CID 365019
4-(Hydroxyimino)-3,6,6-trimethyl-5,6,7-trihydrobenzo[2,1-d]isoxazole
CID 6111792
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
3-(trifluoromethyl)-6,7-dihydro-5H-1,2-benzoxazol-4-one
CID 83861371

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-one?
The IUPAC name of 6-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-one (CID 82401265) is 6-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-one.
What is the SMILES notation for 6-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-one?
The canonical SMILES for 6-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-one is Cc1noc2c1C(=O)CC(CCN)C2.
What is the InChIKey of 6-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-one?
The InChIKey is JKKHSAIQCIZPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6-10-8(13)4-7(2-3-11)5-9(10)14-12-6/h7H,2-5,11H2,1H3.
What are the key properties of 6-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-one?
6-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-one has a molecular weight of 194.23 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-one is sourced from PubChem (CID 82401265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).