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

C14H19NO — CID 144936344

IUPACethane;3-methyl-2-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine
SMILESC/C=C\C1=C(C)Nc2ccccc2O1.CC
InChIInChI=1S/C12H13NO.C2H6/c1-3-6-11-9(2)13-10-7-4-5-8-12(10)14-11;1-2/h3-8,13H,1-2H3;1-2H3/b6-3-;
InChIKeyIJVMVFVNZASDNH-AQPBACSKSA-N
MW217.31 g/mol
LogP4.32
Rot. Bonds1

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

ethane;3-methyl-2-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine (PubChem CID 144936344) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is ethane;3-methyl-2-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine.

Molecular Properties

Compound Nameethane;3-methyl-2-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine
PubChem CID144936344
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Nameethane;3-methyl-2-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine
SMILESC/C=C\C1=C(C)Nc2ccccc2O1.CC
InChIInChI=1S/C12H13NO.C2H6/c1-3-6-11-9(2)13-10-7-4-5-8-12(10)14-11;1-2/h3-8,13H,1-2H3;1-2H3/b6-3-;
InChIKeyIJVMVFVNZASDNH-AQPBACSKSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-ethyl-3-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine
CID 143071380
3-[(1Z)-buta-1,3-dienyl]-2-methyl-4H-1,4-benzoxazine;ethane
CID 143060410
10H-phenoxazine
CID 161421901
2-propan-2-ylidene-3H-1,3-benzoxazole
CID 146214721
3-ethenyl-2-[(1E,3Z)-hexa-1,3,5-trienyl]-4H-1,4-benzoxazine
CID 154948076
2,3-bis[(Z)-prop-1-enyl]-1,4-benzoxazepine
CID 143559566
2,3-bis(ethenyl)-1,4-benzodioxine;ethane
CID 144875800
N,N-diphenylaniline;10H-phenoxazine
CID 174810342
(2E)-2-[(4-methylphenyl)methylidene]-4H-1,4-benzoxazin-3-one
CID 10729421
2-(2H-pyrrol-4-ylmethylidene)-4H-1,4-benzoxazin-3-one
CID 91308486
4-(4-bromophenyl)-3-ethenyl-2-[(Z)-prop-1-enyl]-1,4-benzoxazine
CID 139317797
10-deuteriophenoxazine
CID 138396006

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine?
The IUPAC name of ethane;3-methyl-2-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine (CID 144936344) is ethane;3-methyl-2-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine.
What is the SMILES notation for ethane;3-methyl-2-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine?
The canonical SMILES for ethane;3-methyl-2-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine is C/C=C\C1=C(C)Nc2ccccc2O1.CC.
What is the InChIKey of ethane;3-methyl-2-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine?
The InChIKey is IJVMVFVNZASDNH-AQPBACSKSA-N. The full InChI is InChI=1S/C12H13NO.C2H6/c1-3-6-11-9(2)13-10-7-4-5-8-12(10)14-11;1-2/h3-8,13H,1-2H3;1-2H3/b6-3-;.
What are the key properties of ethane;3-methyl-2-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine?
ethane;3-methyl-2-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine has a molecular weight of 217.31 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine is sourced from PubChem (CID 144936344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).