1H-pyrrolo[2,1-c][1,4]oxazine

C7H7NO — CID 21352922

IUPAC1H-pyrrolo[2,1-c][1,4]oxazine
SMILESC1=Cn2cccc2CO1
InChIInChI=1S/C7H7NO/c1-2-7-6-9-5-4-8(7)3-1/h1-5H,6H2
InChIKeyKGVPNVYKWGRCHO-UHFFFAOYSA-N
MW121.14 g/mol
LogP1.45
Rot. Bonds

About 1H-pyrrolo[2,1-c][1,4]oxazine

1H-pyrrolo[2,1-c][1,4]oxazine (PubChem CID 21352922) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is 1H-pyrrolo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name1H-pyrrolo[2,1-c][1,4]oxazine
PubChem CID21352922
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name1H-pyrrolo[2,1-c][1,4]oxazine
SMILESC1=Cn2cccc2CO1
InChIInChI=1S/C7H7NO/c1-2-7-6-9-5-4-8(7)3-1/h1-5H,6H2
InChIKeyKGVPNVYKWGRCHO-UHFFFAOYSA-N
XLogP1.45
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl Picolinimidate
CID 152260
2-(Methoxymethyl)pyridine
CID 253220
1-Methyl-1H-pyrrole-2-methanol
CID 148557
Pyridine, 2-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-
CID 3724387
(4S)-4-methyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
CID 6711319
Oxazole, 4,5-dihydro-4,4-dimethyl-2-(1-methyl-1H-pyrrol-2-yl)-
CID 6618920
2-(4-Methyl-4,5-dihydro-1,3-oxazol-2-yl)pyridine
CID 358199
Formic acid, pyridin-2-ylmethyl ester
CID 564674
2-[(Ethenyloxy)methyl]pyridine
CID 12572335
2-(1-Methoxyethenyl)pyridine
CID 15561063
(1-(difluoromethyl)-1H-pyrrol-2-yl)methanol
CID 66399944
8-Ethoxy-2,2-difluoro-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
CID 71734238

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[2,1-c][1,4]oxazine?
The IUPAC name of 1H-pyrrolo[2,1-c][1,4]oxazine (CID 21352922) is 1H-pyrrolo[2,1-c][1,4]oxazine.
What is the SMILES notation for 1H-pyrrolo[2,1-c][1,4]oxazine?
The canonical SMILES for 1H-pyrrolo[2,1-c][1,4]oxazine is C1=Cn2cccc2CO1.
What is the InChIKey of 1H-pyrrolo[2,1-c][1,4]oxazine?
The InChIKey is KGVPNVYKWGRCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c1-2-7-6-9-5-4-8(7)3-1/h1-5H,6H2.
What are the key properties of 1H-pyrrolo[2,1-c][1,4]oxazine?
1H-pyrrolo[2,1-c][1,4]oxazine has a molecular weight of 121.14 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,1-c][1,4]oxazine is sourced from PubChem (CID 21352922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).