methane;4-methyl-2,3,7,8-tetrahydro-1,4-benzoxazine

C10H17NO — CID 145321808

IUPACmethane;4-methyl-2,3,7,8-tetrahydro-1,4-benzoxazine
SMILESC.CN1CCOC2=C1C=CCC2
InChIInChI=1S/C9H13NO.CH4/c1-10-6-7-11-9-5-3-2-4-8(9)10;/h2,4H,3,5-7H2,1H3;1H4
InChIKeySOSDLYCZYGQVQA-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.15
Rot. Bonds

About methane;4-methyl-2,3,7,8-tetrahydro-1,4-benzoxazine

methane;4-methyl-2,3,7,8-tetrahydro-1,4-benzoxazine (PubChem CID 145321808) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is methane;4-methyl-2,3,7,8-tetrahydro-1,4-benzoxazine.

Molecular Properties

Compound Namemethane;4-methyl-2,3,7,8-tetrahydro-1,4-benzoxazine
PubChem CID145321808
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Namemethane;4-methyl-2,3,7,8-tetrahydro-1,4-benzoxazine
SMILESC.CN1CCOC2=C1C=CCC2
InChIInChI=1S/C9H13NO.CH4/c1-10-6-7-11-9-5-3-2-4-8(9)10;/h2,4H,3,5-7H2,1H3;1H4
InChIKeySOSDLYCZYGQVQA-UHFFFAOYSA-N
XLogP2.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-Methoxycyclohexa-1,5-dien-1-yl)morpholine
CID 12664081
4-Methyl-2,3,4a,5-tetrahydro-1,4-benzoxazine
CID 17987380
4-Propan-2-yl-2,3,5,6-tetrahydro-1,4-benzoxazine
CID 60067171
(2E,4Z,6E)-8-ethyl-2-methyl-11,12-dihydro-1,8-benzoxazecine
CID 70904789
4-(2-Methoxycyclohexa-2,4-dien-1-yl)morpholine
CID 102245622
4-Cyclohexa-1,5-dien-1-yl-2,6-dimethylmorpholine
CID 118406999
(2S,6R)-4-cyclohexa-1,5-dien-1-yl-2,6-dimethylmorpholine
CID 118407189
4,7,9-trimethyl-3,7,8,9-tetrahydro-2H-cyclohepta[b][1,4]oxazine
CID 137427535
N-(cyclohexa-1,5-dien-1-ylmethyl)-2-cyclohexa-1,3-dien-1-yloxy-N-ethylethanamine
CID 141773624
4-(4-Methyl-2-propoxycyclohexa-1,5-dien-1-yl)morpholine
CID 141945547
4-Propyl-2,3,5,6-tetrahydro-1,4-benzoxazine
CID 142262038
6-methyl-5-[(E)-pent-2-en-3-yl]-4-propyl-2,3-dihydro-1,4-oxazine
CID 142434225

Frequently Asked Questions

What is the IUPAC name of methane;4-methyl-2,3,7,8-tetrahydro-1,4-benzoxazine?
The IUPAC name of methane;4-methyl-2,3,7,8-tetrahydro-1,4-benzoxazine (CID 145321808) is methane;4-methyl-2,3,7,8-tetrahydro-1,4-benzoxazine.
What is the SMILES notation for methane;4-methyl-2,3,7,8-tetrahydro-1,4-benzoxazine?
The canonical SMILES for methane;4-methyl-2,3,7,8-tetrahydro-1,4-benzoxazine is C.CN1CCOC2=C1C=CCC2.
What is the InChIKey of methane;4-methyl-2,3,7,8-tetrahydro-1,4-benzoxazine?
The InChIKey is SOSDLYCZYGQVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.CH4/c1-10-6-7-11-9-5-3-2-4-8(9)10;/h2,4H,3,5-7H2,1H3;1H4.
What are the key properties of methane;4-methyl-2,3,7,8-tetrahydro-1,4-benzoxazine?
methane;4-methyl-2,3,7,8-tetrahydro-1,4-benzoxazine has a molecular weight of 167.25 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-methyl-2,3,7,8-tetrahydro-1,4-benzoxazine is sourced from PubChem (CID 145321808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).