7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;formaldehyde

C12H17NO2 — CID 178062426

IUPAC7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;formaldehyde
SMILESC=O.CCc1ccc2c(c1)OCCN2C
InChIInChI=1S/C11H15NO.CH2O/c1-3-9-4-5-10-11(8-9)13-7-6-12(10)2;1-2/h4-5,8H,3,6-7H2,1-2H3;1H2
InChIKeyUJOPHYICIDAJHD-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.89
Rot. Bonds1

About 7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;formaldehyde

7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;formaldehyde (PubChem CID 178062426) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;formaldehyde.

Molecular Properties

Compound Name7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;formaldehyde
PubChem CID178062426
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;formaldehyde
SMILESC=O.CCc1ccc2c(c1)OCCN2C
InChIInChI=1S/C11H15NO.CH2O/c1-3-9-4-5-10-11(8-9)13-7-6-12(10)2;1-2/h4-5,8H,3,6-7H2,1-2H3;1H2
InChIKeyUJOPHYICIDAJHD-UHFFFAOYSA-N
XLogP1.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-propan-2-yl-1,3-benzodioxole
CID 162748786
7-(isocyanatomethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 117292430
3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propan-1-ol
CID 83777474
4-methyl-7-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzoxazine
CID 170869910
4-methyl-2,3-dihydro-1,4-benzoxazine;propane
CID 143401269
4-methyl-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine
CID 117368648
7-ethynyl-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 130133273
(4-propyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine
CID 82339274
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)butane-1-sulfonamide
CID 110639705
4-methyl-6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine
CID 176694445
ethane;4-methyl-2,3-dihydro-1,4-benzoxazine
CID 142222866
3-amino-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propanamide
CID 170876312

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;formaldehyde?
The IUPAC name of 7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;formaldehyde (CID 178062426) is 7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;formaldehyde.
What is the SMILES notation for 7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;formaldehyde?
The canonical SMILES for 7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;formaldehyde is C=O.CCc1ccc2c(c1)OCCN2C.
What is the InChIKey of 7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;formaldehyde?
The InChIKey is UJOPHYICIDAJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.CH2O/c1-3-9-4-5-10-11(8-9)13-7-6-12(10)2;1-2/h4-5,8H,3,6-7H2,1-2H3;1H2.
What are the key properties of 7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;formaldehyde?
7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;formaldehyde has a molecular weight of 207.27 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;formaldehyde is sourced from PubChem (CID 178062426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).