2H-1,2-benzoxazine;prop-2-en-1-amine

C11H14N2O — CID 175090238

IUPAC2H-1,2-benzoxazine;prop-2-en-1-amine
SMILESC1=Cc2ccccc2ON1.C=CCN
InChIInChI=1S/C8H7NO.C3H7N/c1-2-4-8-7(3-1)5-6-9-10-8;1-2-3-4/h1-6,9H;2H,1,3-4H2
InChIKeyUEWNHJIAARGILY-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.69
Rot. Bonds1

About 2H-1,2-benzoxazine;prop-2-en-1-amine

2H-1,2-benzoxazine;prop-2-en-1-amine (PubChem CID 175090238) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2H-1,2-benzoxazine;prop-2-en-1-amine.

Molecular Properties

Compound Name2H-1,2-benzoxazine;prop-2-en-1-amine
PubChem CID175090238
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2H-1,2-benzoxazine;prop-2-en-1-amine
SMILESC1=Cc2ccccc2ON1.C=CCN
InChIInChI=1S/C8H7NO.C3H7N/c1-2-4-8-7(3-1)5-6-9-10-8;1-2-3-4/h1-6,9H;2H,1,3-4H2
InChIKeyUEWNHJIAARGILY-UHFFFAOYSA-N
XLogP1.69
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2H-1,2-benzoxazine;methanamine
CID 22349486
2H-1,2-benzoxazine;ethane-1,2-diol
CID 175297892
2H-1,2-benzoxazine;cyclohexanamine
CID 175182018
2H-1,2-benzoxazine;prop-1-ene-2-sulfonamide
CID 118163764
2H-1,2-benzoxazine;1H-pyrazole
CID 89454286
2H-1,2-benzoxazine;4,5-dihydro-1,3-oxazole
CID 159437520
CID 67470092
CID 67470092
2-oxa-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,9,12,14,16-octaene
CID 175794563
6-propan-2-yl-2H-1,2-benzoxazine
CID 178028695
2-ethenylisoindole-1,3-dione;prop-2-en-1-amine
CID 21271999
cyclohexane;bis(prop-2-en-1-amine)
CID 67816454
3-ethyl-2H-1,2-benzoxazine
CID 118169184

Frequently Asked Questions

What is the IUPAC name of 2H-1,2-benzoxazine;prop-2-en-1-amine?
The IUPAC name of 2H-1,2-benzoxazine;prop-2-en-1-amine (CID 175090238) is 2H-1,2-benzoxazine;prop-2-en-1-amine.
What is the SMILES notation for 2H-1,2-benzoxazine;prop-2-en-1-amine?
The canonical SMILES for 2H-1,2-benzoxazine;prop-2-en-1-amine is C1=Cc2ccccc2ON1.C=CCN.
What is the InChIKey of 2H-1,2-benzoxazine;prop-2-en-1-amine?
The InChIKey is UEWNHJIAARGILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.C3H7N/c1-2-4-8-7(3-1)5-6-9-10-8;1-2-3-4/h1-6,9H;2H,1,3-4H2.
What are the key properties of 2H-1,2-benzoxazine;prop-2-en-1-amine?
2H-1,2-benzoxazine;prop-2-en-1-amine has a molecular weight of 190.25 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,2-benzoxazine;prop-2-en-1-amine is sourced from PubChem (CID 175090238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).