pyrrolo[3,2-f][1,2]benzoxazine

C10H6N2O — CID 140592129

IUPACpyrrolo[3,2-f][1,2]benzoxazine
SMILESc1cc2c(ccc3nccc32)on1
InChIInChI=1S/C10H6N2O/c1-2-10-8(4-6-12-13-10)7-3-5-11-9(1)7/h1-6H
InChIKeyGZPXPJYXPRAANI-UHFFFAOYSA-N
MW170.17 g/mol
LogP2.38
Rot. Bonds

About pyrrolo[3,2-f][1,2]benzoxazine

pyrrolo[3,2-f][1,2]benzoxazine (PubChem CID 140592129) has the molecular formula C10H6N2O and a molecular weight of 170.17 g/mol. Its IUPAC name is pyrrolo[3,2-f][1,2]benzoxazine.

Molecular Properties

Compound Namepyrrolo[3,2-f][1,2]benzoxazine
PubChem CID140592129
Molecular FormulaC10H6N2O
Molecular Weight170.17 g/mol
Exact Mass170.05
IUPAC Namepyrrolo[3,2-f][1,2]benzoxazine
SMILESc1cc2c(ccc3nccc32)on1
InChIInChI=1S/C10H6N2O/c1-2-10-8(4-6-12-13-10)7-3-5-11-9(1)7/h1-6H
InChIKeyGZPXPJYXPRAANI-UHFFFAOYSA-N
XLogP2.38
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2H-pyrrolo[3,2-e][1,2]benzoxazole
CID 176741848
pyrrolo[2,3-i][2,4]benzodiazepine
CID 172654038
6-oxa-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one
CID 59457780
4-ethyl-[1,2]oxazolo[4,5-c]pyridine
CID 122697261
4H-pyrrolo[3,2-f]quinazolin-3-amine
CID 146681376
[1]benzofuro[4,5-g]quinoline;hydrochloride
CID 68728891
4-[(E)-2-fluoroprop-1-enyl]quinoline
CID 173227101
furo[2,3-e][1,2]benzoxazole
CID 57375713
1-propyl-[1,2]oxazolo[4,5-f]quinoline
CID 164736959
3-(trifluoromethyl)pyrano[3,2-f]quinolin-1-one
CID 134855870
5-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 126896177
4-N-(1,2-oxazol-5-ylmethyl)quinoline-3,4-diamine
CID 114185848

Frequently Asked Questions

What is the IUPAC name of pyrrolo[3,2-f][1,2]benzoxazine?
The IUPAC name of pyrrolo[3,2-f][1,2]benzoxazine (CID 140592129) is pyrrolo[3,2-f][1,2]benzoxazine.
What is the SMILES notation for pyrrolo[3,2-f][1,2]benzoxazine?
The canonical SMILES for pyrrolo[3,2-f][1,2]benzoxazine is c1cc2c(ccc3nccc32)on1.
What is the InChIKey of pyrrolo[3,2-f][1,2]benzoxazine?
The InChIKey is GZPXPJYXPRAANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O/c1-2-10-8(4-6-12-13-10)7-3-5-11-9(1)7/h1-6H.
What are the key properties of pyrrolo[3,2-f][1,2]benzoxazine?
pyrrolo[3,2-f][1,2]benzoxazine has a molecular weight of 170.17 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[3,2-f][1,2]benzoxazine is sourced from PubChem (CID 140592129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).