ethane;N-methyl-N-[(Z)-2-(methylamino)ethenyl]cyclohexa-1,5-diene-1-carboxamide

C13H22N2O — CID 142032761

IUPACethane;N-methyl-N-[(Z)-2-(methylamino)ethenyl]cyclohexa-1,5-diene-1-carboxamide
SMILESCC.CN/C=C\N(C)C(=O)C1=CCCC=C1
InChIInChI=1S/C11H16N2O.C2H6/c1-12-8-9-13(2)11(14)10-6-4-3-5-7-10;1-2/h4,6-9,12H,3,5H2,1-2H3;1-2H3/b9-8-;
InChIKeyACCFFVZLPVHGLN-UOQXYWCXSA-N
MW222.33 g/mol
LogP2.44
Rot. Bonds3

About ethane;N-methyl-N-[(Z)-2-(methylamino)ethenyl]cyclohexa-1,5-diene-1-carboxamide

ethane;N-methyl-N-[(Z)-2-(methylamino)ethenyl]cyclohexa-1,5-diene-1-carboxamide (PubChem CID 142032761) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is ethane;N-methyl-N-[(Z)-2-(methylamino)ethenyl]cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Nameethane;N-methyl-N-[(Z)-2-(methylamino)ethenyl]cyclohexa-1,5-diene-1-carboxamide
PubChem CID142032761
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Nameethane;N-methyl-N-[(Z)-2-(methylamino)ethenyl]cyclohexa-1,5-diene-1-carboxamide
SMILESCC.CN/C=C\N(C)C(=O)C1=CCCC=C1
InChIInChI=1S/C11H16N2O.C2H6/c1-12-8-9-13(2)11(14)10-6-4-3-5-7-10;1-2/h4,6-9,12H,3,5H2,1-2H3;1-2H3/b9-8-;
InChIKeyACCFFVZLPVHGLN-UOQXYWCXSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

di(cyclohexa-1,5-dien-1-yl)methanone;ethane
CID 144664025
N-cyclohepta-1,3,5-trien-1-yl-N-methylcyclohexa-1,5-diene-1-carboxamide
CID 163424850
(Z)-1-cyclohexa-1,5-dien-1-yl-N'-methylethene-1,2-diamine;propan-2-amine
CID 143111173
1-cyclohexa-1,5-dien-1-yl-2,2-dimethylpropan-1-one
CID 19747828
2-(cyclohexa-1,5-diene-1-carbonylamino)acetic acid
CID 54330451
2-cyclohexa-1,5-dien-1-yl-N-methyl-2-[methyl(propan-2-yl)amino]acetamide
CID 171554078
methyl (2E)-2-cyclohexa-1,5-dien-1-yl-2-hydrazinylideneacetate
CID 170005054
N-methylcyclohepta-1,6-diene-1-carboxamide;molecular hydrogen
CID 143509672
2-[(Z)-pent-2-en-3-yl]cyclohexa-1,3-diene
CID 145327169
1-amino-3-(cyclohexa-1,5-dien-1-ylmethyl)-1-methylurea
CID 89324346
N-[2-methyl-1-(2-methylpropanoylamino)propan-2-yl]cyclohexa-1,5-diene-1-carboxamide
CID 143482196
3-N'-(benzenecarbonothioyl)-1-N'-(cyclohexa-1,5-diene-1-carbothioyl)-1-N',3-N'-diphenylpropanedihydrazide;ethane
CID 143240761

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-[(Z)-2-(methylamino)ethenyl]cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of ethane;N-methyl-N-[(Z)-2-(methylamino)ethenyl]cyclohexa-1,5-diene-1-carboxamide (CID 142032761) is ethane;N-methyl-N-[(Z)-2-(methylamino)ethenyl]cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for ethane;N-methyl-N-[(Z)-2-(methylamino)ethenyl]cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for ethane;N-methyl-N-[(Z)-2-(methylamino)ethenyl]cyclohexa-1,5-diene-1-carboxamide is CC.CN/C=C\N(C)C(=O)C1=CCCC=C1.
What is the InChIKey of ethane;N-methyl-N-[(Z)-2-(methylamino)ethenyl]cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is ACCFFVZLPVHGLN-UOQXYWCXSA-N. The full InChI is InChI=1S/C11H16N2O.C2H6/c1-12-8-9-13(2)11(14)10-6-4-3-5-7-10;1-2/h4,6-9,12H,3,5H2,1-2H3;1-2H3/b9-8-;.
What are the key properties of ethane;N-methyl-N-[(Z)-2-(methylamino)ethenyl]cyclohexa-1,5-diene-1-carboxamide?
ethane;N-methyl-N-[(Z)-2-(methylamino)ethenyl]cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-[(Z)-2-(methylamino)ethenyl]cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 142032761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).