methyl 4-(1-aminoethenylamino)cyclohexa-2,4-diene-1-carboxylate

C10H14N2O2 — CID 144818971

IUPACmethyl 4-(1-aminoethenylamino)cyclohexa-2,4-diene-1-carboxylate
SMILESC=C(N)NC1=CCC(C(=O)OC)C=C1
InChIInChI=1S/C10H14N2O2/c1-7(11)12-9-5-3-8(4-6-9)10(13)14-2/h3,5-6,8,12H,1,4,11H2,2H3
InChIKeyXRFBWOXJHSGBEL-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.64
Rot. Bonds3

About methyl 4-(1-aminoethenylamino)cyclohexa-2,4-diene-1-carboxylate

methyl 4-(1-aminoethenylamino)cyclohexa-2,4-diene-1-carboxylate (PubChem CID 144818971) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 4-(1-aminoethenylamino)cyclohexa-2,4-diene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-aminoethenylamino)cyclohexa-2,4-diene-1-carboxylate
PubChem CID144818971
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namemethyl 4-(1-aminoethenylamino)cyclohexa-2,4-diene-1-carboxylate
SMILESC=C(N)NC1=CCC(C(=O)OC)C=C1
InChIInChI=1S/C10H14N2O2/c1-7(11)12-9-5-3-8(4-6-9)10(13)14-2/h3,5-6,8,12H,1,4,11H2,2H3
InChIKeyXRFBWOXJHSGBEL-UHFFFAOYSA-N
XLogP0.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-hydroxycyclohexa-2,4-diene-1-carboxylate
CID 149128218
methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-2,4-diene-1-carboxylate
CID 146806017
methyl 4-(5-acetylfuran-2-yl)cyclohexa-2,4-diene-1-carboxylate
CID 163605231
4-(3-iminobutanoylamino)cyclohexa-2,4-diene-1-carboxylic acid
CID 91148760
methyl 4-(6-methyl-4-oxoheptan-2-yl)cyclohexa-2,4-diene-1-carboxylate
CID 118680542
methyl 3-amino-4-chlorocyclohexa-2,4-diene-1-carboxylate
CID 163910502
N'-(4-but-1-en-2-ylcyclohexa-1,5-dien-1-yl)-N-methylmethanediamine
CID 178080661
dimethyl cyclohexa-1,5-diene-1,3-dicarboxylate
CID 10584037
4-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 18387156
methyl (1S)-4-aminocyclopent-2-ene-1-carboxylate
CID 89349898
methyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride
CID 18538082
methyl (4R)-4-methylcyclopent-2-ene-1-carboxylate
CID 134358359

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-aminoethenylamino)cyclohexa-2,4-diene-1-carboxylate?
The IUPAC name of methyl 4-(1-aminoethenylamino)cyclohexa-2,4-diene-1-carboxylate (CID 144818971) is methyl 4-(1-aminoethenylamino)cyclohexa-2,4-diene-1-carboxylate.
What is the SMILES notation for methyl 4-(1-aminoethenylamino)cyclohexa-2,4-diene-1-carboxylate?
The canonical SMILES for methyl 4-(1-aminoethenylamino)cyclohexa-2,4-diene-1-carboxylate is C=C(N)NC1=CCC(C(=O)OC)C=C1.
What is the InChIKey of methyl 4-(1-aminoethenylamino)cyclohexa-2,4-diene-1-carboxylate?
The InChIKey is XRFBWOXJHSGBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(11)12-9-5-3-8(4-6-9)10(13)14-2/h3,5-6,8,12H,1,4,11H2,2H3.
What are the key properties of methyl 4-(1-aminoethenylamino)cyclohexa-2,4-diene-1-carboxylate?
methyl 4-(1-aminoethenylamino)cyclohexa-2,4-diene-1-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-aminoethenylamino)cyclohexa-2,4-diene-1-carboxylate is sourced from PubChem (CID 144818971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).