4-propyl-2,3,5,6-tetrahydro-1,4-benzoxazine

C11H17NO — CID 142262038

IUPAC4-propyl-2,3,5,6-tetrahydro-1,4-benzoxazine
SMILESCCCN1CCOC2=C1CCC=C2
InChIInChI=1S/C11H17NO/c1-2-7-12-8-9-13-11-6-4-3-5-10(11)12/h4,6H,2-3,5,7-9H2,1H3
InChIKeyFCCIDTKUGZZYOQ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.29
Rot. Bonds2

About 4-propyl-2,3,5,6-tetrahydro-1,4-benzoxazine

4-propyl-2,3,5,6-tetrahydro-1,4-benzoxazine (PubChem CID 142262038) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-propyl-2,3,5,6-tetrahydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-propyl-2,3,5,6-tetrahydro-1,4-benzoxazine
PubChem CID142262038
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-propyl-2,3,5,6-tetrahydro-1,4-benzoxazine
SMILESCCCN1CCOC2=C1CCC=C2
InChIInChI=1S/C11H17NO/c1-2-7-12-8-9-13-11-6-4-3-5-10(11)12/h4,6H,2-3,5,7-9H2,1H3
InChIKeyFCCIDTKUGZZYOQ-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclohexa-1,5-dien-1-yloxyethyl)-N-propan-2-ylpropan-2-amine
CID 17898820
1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)pyrrolidine
CID 17915424
2-cyclohexa-1,5-dien-1-yloxy-N,N-diethylethanamine
CID 20156375
1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)piperidine
CID 21959220
2-cyclohexa-1,5-dien-1-yloxy-N,N-dimethylethanamine
CID 22619772
3,4,5,6-tetrahydro-2H-1,4-benzoxazine
CID 55300852
4-Propan-2-yl-2,3,5,6-tetrahydro-1,4-benzoxazine
CID 60067171
2-[2-Hydroxyethyl-(2-methoxycyclohexa-1,3-dien-1-yl)amino]ethanol
CID 68310791
(6S)-N,N-diethyl-6-methoxycyclohexa-1,3-dien-1-amine
CID 68348592
7-Bromo-4-methyl-2,3,5,6-tetrahydro-1,4-benzoxazine
CID 70274930
7-Methoxy-4-prop-2-enyl-2,3,4a,5-tetrahydro-1,4-benzoxazine
CID 70458047
2-[(Z)-but-2-enyl]-6-but-3-enyl-4-[(2Z,4Z)-hepta-2,4,6-trienyl]-5-methyl-3-methylidene-1,4-oxazine
CID 87277119

Frequently Asked Questions

What is the IUPAC name of 4-propyl-2,3,5,6-tetrahydro-1,4-benzoxazine?
The IUPAC name of 4-propyl-2,3,5,6-tetrahydro-1,4-benzoxazine (CID 142262038) is 4-propyl-2,3,5,6-tetrahydro-1,4-benzoxazine.
What is the SMILES notation for 4-propyl-2,3,5,6-tetrahydro-1,4-benzoxazine?
The canonical SMILES for 4-propyl-2,3,5,6-tetrahydro-1,4-benzoxazine is CCCN1CCOC2=C1CCC=C2.
What is the InChIKey of 4-propyl-2,3,5,6-tetrahydro-1,4-benzoxazine?
The InChIKey is FCCIDTKUGZZYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-7-12-8-9-13-11-6-4-3-5-10(11)12/h4,6H,2-3,5,7-9H2,1H3.
What are the key properties of 4-propyl-2,3,5,6-tetrahydro-1,4-benzoxazine?
4-propyl-2,3,5,6-tetrahydro-1,4-benzoxazine has a molecular weight of 179.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2,3,5,6-tetrahydro-1,4-benzoxazine is sourced from PubChem (CID 142262038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).