6-methyl-3-(2-methylprop-2-enyl)-6H-oxazine

C9H13NO — CID 91548794

IUPAC6-methyl-3-(2-methylprop-2-enyl)-6H-oxazine
SMILESC=C(C)CC1=NOC(C)C=C1
InChIInChI=1S/C9H13NO/c1-7(2)6-9-5-4-8(3)11-10-9/h4-5,8H,1,6H2,2-3H3
InChIKeyAQPOQSRFAUZELA-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.28
Rot. Bonds2

About 6-methyl-3-(2-methylprop-2-enyl)-6H-oxazine

6-methyl-3-(2-methylprop-2-enyl)-6H-oxazine (PubChem CID 91548794) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 6-methyl-3-(2-methylprop-2-enyl)-6H-oxazine.

Molecular Properties

Compound Name6-methyl-3-(2-methylprop-2-enyl)-6H-oxazine
PubChem CID91548794
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name6-methyl-3-(2-methylprop-2-enyl)-6H-oxazine
SMILESC=C(C)CC1=NOC(C)C=C1
InChIInChI=1S/C9H13NO/c1-7(2)6-9-5-4-8(3)11-10-9/h4-5,8H,1,6H2,2-3H3
InChIKeyAQPOQSRFAUZELA-UHFFFAOYSA-N
XLogP2.28
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(E)-hex-1-enyl]-3-methyl-4,5-dihydro-1,2-oxazole
CID 162417074
3-methyl-5-[(E)-pent-1-enyl]-4,5-dihydro-1,2-oxazole
CID 162418023
(E)-6-methyl-N-prop-2-enoxyhept-5-en-3-imine
CID 13771477
2-Methyl-5-allyloxyimino-2-heptene
CID 53798545
(E)-N-propan-2-yloxycyclopent-2-en-1-imine
CID 59497709
(E)-N-propan-2-yloxycyclohex-2-en-1-imine
CID 59497723
3-ethyl-5,8-dimethyl-3H-2,1-benzoxazine
CID 117948304
3-Methyl-3,4-dihydro-2,1-benzoxazepine
CID 123333944
ethane;(E,Z,3E)-3-ethylidene-N-propan-2-yloxyhex-4-en-2-imine
CID 141889320
3,6-dimethyl-6H-oxazine
CID 143896192
6-methyl-3H-2,1-benzoxazine
CID 144594801
3,4-dimethyl-6H-oxazine;ethane
CID 144672234

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-methylprop-2-enyl)-6H-oxazine?
The IUPAC name of 6-methyl-3-(2-methylprop-2-enyl)-6H-oxazine (CID 91548794) is 6-methyl-3-(2-methylprop-2-enyl)-6H-oxazine.
What is the SMILES notation for 6-methyl-3-(2-methylprop-2-enyl)-6H-oxazine?
The canonical SMILES for 6-methyl-3-(2-methylprop-2-enyl)-6H-oxazine is C=C(C)CC1=NOC(C)C=C1.
What is the InChIKey of 6-methyl-3-(2-methylprop-2-enyl)-6H-oxazine?
The InChIKey is AQPOQSRFAUZELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(2)6-9-5-4-8(3)11-10-9/h4-5,8H,1,6H2,2-3H3.
What are the key properties of 6-methyl-3-(2-methylprop-2-enyl)-6H-oxazine?
6-methyl-3-(2-methylprop-2-enyl)-6H-oxazine has a molecular weight of 151.21 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-methylprop-2-enyl)-6H-oxazine is sourced from PubChem (CID 91548794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).