6-(3-aminoprop-1-enyl)-3H-1,3-benzoxazol-2-one

C10H10N2O2 — CID 169463735

IUPAC6-(3-aminoprop-1-enyl)-3H-1,3-benzoxazol-2-one
SMILESNCC=Cc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C10H10N2O2/c11-5-1-2-7-3-4-8-9(6-7)14-10(13)12-8/h1-4,6H,5,11H2,(H,12,13)
InChIKeyDJLCHMFNTXHIJG-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.09
Rot. Bonds2

About 6-(3-aminoprop-1-enyl)-3H-1,3-benzoxazol-2-one

6-(3-aminoprop-1-enyl)-3H-1,3-benzoxazol-2-one (PubChem CID 169463735) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 6-(3-aminoprop-1-enyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(3-aminoprop-1-enyl)-3H-1,3-benzoxazol-2-one
PubChem CID169463735
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name6-(3-aminoprop-1-enyl)-3H-1,3-benzoxazol-2-one
SMILESNCC=Cc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C10H10N2O2/c11-5-1-2-7-3-4-8-9(6-7)14-10(13)12-8/h1-4,6H,5,11H2,(H,12,13)
InChIKeyDJLCHMFNTXHIJG-UHFFFAOYSA-N
XLogP1.09
TPSA72.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(3-aminoprop-1-enyl)-3H-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-chlorobut-1-enyl)-3H-1,3-benzoxazol-2-one
CID 170499340
3-(2-oxo-3H-1,3-benzoxazol-6-yl)prop-2-enal
CID 169459247
6-(4-azidobut-1-enyl)-3H-1,3-benzoxazol-2-one
CID 170485469
(Z)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)prop-2-enenitrile
CID 142272083
6-(aminomethyl)-3H-1,3-benzoxazol-2-one;hydrochloride
CID 122164517
6-(3-aminoprop-1-enyl)-1H-quinazoline-2,4-dione
CID 169464266
6-(1,2-diaminopropan-2-yl)-3H-1,3-benzoxazol-2-one
CID 116855628
6-(1,2-diaminoethyl)-3H-1,3-benzoxazol-2-one
CID 116855514
6-(5-aminopentyl)-3H-1,3-benzoxazol-2-one
CID 96672161
3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione
CID 102579895
5-(3-aminoprop-1-enyl)-1H-indole-3-carboxylic acid
CID 169464273
6-(2-amino-1-phenylethyl)-3H-1,3-benzoxazol-2-one
CID 82499590

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminoprop-1-enyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(3-aminoprop-1-enyl)-3H-1,3-benzoxazol-2-one (CID 169463735) is 6-(3-aminoprop-1-enyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(3-aminoprop-1-enyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(3-aminoprop-1-enyl)-3H-1,3-benzoxazol-2-one is NCC=Cc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-(3-aminoprop-1-enyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is DJLCHMFNTXHIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-5-1-2-7-3-4-8-9(6-7)14-10(13)12-8/h1-4,6H,5,11H2,(H,12,13).
What are the key properties of 6-(3-aminoprop-1-enyl)-3H-1,3-benzoxazol-2-one?
6-(3-aminoprop-1-enyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 190.20 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminoprop-1-enyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 169463735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).