ethane;2-ethyl-3-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine

C17H27NO — CID 143071380

IUPACethane;2-ethyl-3-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine
SMILESC/C=C\C1=C(CC)Oc2ccccc2N1.CC.CC
InChIInChI=1S/C13H15NO.2C2H6/c1-3-7-10-12(4-2)15-13-9-6-5-8-11(13)14-10;2*1-2/h3,5-9,14H,4H2,1-2H3;2*1-2H3/b7-3-;;
InChIKeyOZWMGMZJVJIKHM-NAMRTZQUSA-N
MW261.41 g/mol
LogP5.74
Rot. Bonds2

About ethane;2-ethyl-3-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine

ethane;2-ethyl-3-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine (PubChem CID 143071380) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is ethane;2-ethyl-3-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine.

Molecular Properties

Compound Nameethane;2-ethyl-3-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine
PubChem CID143071380
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Nameethane;2-ethyl-3-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine
SMILESC/C=C\C1=C(CC)Oc2ccccc2N1.CC.CC
InChIInChI=1S/C13H15NO.2C2H6/c1-3-7-10-12(4-2)15-13-9-6-5-8-11(13)14-10;2*1-2/h3,5-9,14H,4H2,1-2H3;2*1-2H3/b7-3-;;
InChIKeyOZWMGMZJVJIKHM-NAMRTZQUSA-N
XLogP5.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.41
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-methyl-2-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine
CID 144936344
3-[(1Z)-buta-1,3-dienyl]-2-methyl-4H-1,4-benzoxazine;ethane
CID 143060410
10H-phenoxazine
CID 161421901
2-ethyl-10H-phenoxazine
CID 172732916
3-ethenyl-2-[(1E,3Z)-hexa-1,3,5-trienyl]-4H-1,4-benzoxazine
CID 154948076
N,N-diphenylaniline;10H-phenoxazine
CID 174810342
3-propyl-10H-phenoxazine
CID 140739556
2-propan-2-ylidene-3H-1,3-benzoxazole
CID 146214721
10H-phenoxazine;thiophene 1,1-dioxide
CID 159670963
ethane;2-(2-hydroxyethyl)-4H-1,4-benzoxazin-3-one
CID 90923836
1-ethoxy-10H-phenoxazin-2-amine
CID 160667189
(2E)-2-[(4-methylphenyl)methylidene]-4H-1,4-benzoxazin-3-one
CID 10729421

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-3-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine?
The IUPAC name of ethane;2-ethyl-3-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine (CID 143071380) is ethane;2-ethyl-3-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine.
What is the SMILES notation for ethane;2-ethyl-3-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine?
The canonical SMILES for ethane;2-ethyl-3-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine is C/C=C\C1=C(CC)Oc2ccccc2N1.CC.CC.
What is the InChIKey of ethane;2-ethyl-3-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine?
The InChIKey is OZWMGMZJVJIKHM-NAMRTZQUSA-N. The full InChI is InChI=1S/C13H15NO.2C2H6/c1-3-7-10-12(4-2)15-13-9-6-5-8-11(13)14-10;2*1-2/h3,5-9,14H,4H2,1-2H3;2*1-2H3/b7-3-;;.
What are the key properties of ethane;2-ethyl-3-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine?
ethane;2-ethyl-3-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine has a molecular weight of 261.41 g/mol, XLogP of 5.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-3-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine is sourced from PubChem (CID 143071380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).