4-(1-aminoethenyl)cyclohexane-1-carboxylic acid

C9H15NO2 — CID 134396570

IUPAC4-(1-aminoethenyl)cyclohexane-1-carboxylic acid
SMILESC=C(N)C1CCC(C(=O)O)CC1
InChIInChI=1S/C9H15NO2/c1-6(10)7-2-4-8(5-3-7)9(11)12/h7-8H,1-5,10H2,(H,11,12)
InChIKeyLBNRZZLHGMSUCH-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.35
Rot. Bonds2

About 4-(1-aminoethenyl)cyclohexane-1-carboxylic acid

4-(1-aminoethenyl)cyclohexane-1-carboxylic acid (PubChem CID 134396570) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-(1-aminoethenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-aminoethenyl)cyclohexane-1-carboxylic acid
PubChem CID134396570
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-(1-aminoethenyl)cyclohexane-1-carboxylic acid
SMILESC=C(N)C1CCC(C(=O)O)CC1
InChIInChI=1S/C9H15NO2/c1-6(10)7-2-4-8(5-3-7)9(11)12/h7-8H,1-5,10H2,(H,11,12)
InChIKeyLBNRZZLHGMSUCH-UHFFFAOYSA-N
XLogP1.35
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropanecarboxylic acid;hydroiodide
CID 67700319
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
cyclohexane-1,4-dicarboxylic acid;prop-1-ene
CID 70631081
cyclohexane-1,4-dicarboxylic acid;formic acid
CID 157153528
cyclopentanecarboxylic acid
CID 18840
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
(4-carboxycyclohexyl)azanium
CID 4518459
4-ethenylcyclohexane-1-carboxylic acid
CID 18538169
4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106240401
cyclopentanecarboxylic acid;indigane
CID 173230713
cyclotetracosanecarboxylic acid
CID 176986816

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(1-aminoethenyl)cyclohexane-1-carboxylic acid (CID 134396570) is 4-(1-aminoethenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(1-aminoethenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(1-aminoethenyl)cyclohexane-1-carboxylic acid is C=C(N)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(1-aminoethenyl)cyclohexane-1-carboxylic acid?
The InChIKey is LBNRZZLHGMSUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(10)7-2-4-8(5-3-7)9(11)12/h7-8H,1-5,10H2,(H,11,12).
What are the key properties of 4-(1-aminoethenyl)cyclohexane-1-carboxylic acid?
4-(1-aminoethenyl)cyclohexane-1-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 134396570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).