6-amino-6-[(Z)-prop-1-enyl]cyclohexa-2,4-diene-1-carboxylic acid

C10H13NO2 — CID 68508745

IUPAC6-amino-6-[(Z)-prop-1-enyl]cyclohexa-2,4-diene-1-carboxylic acid
SMILESC/C=C\C1(N)C=CC=CC1C(=O)O
InChIInChI=1S/C10H13NO2/c1-2-6-10(11)7-4-3-5-8(10)9(12)13/h2-8H,11H2,1H3,(H,12,13)/b6-2-
InChIKeyZTTLOMMLYLKNDO-KXFIGUGUSA-N
MW179.22 g/mol
LogP1.09
Rot. Bonds2

About 6-amino-6-[(Z)-prop-1-enyl]cyclohexa-2,4-diene-1-carboxylic acid

6-amino-6-[(Z)-prop-1-enyl]cyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 68508745) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-amino-6-[(Z)-prop-1-enyl]cyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name6-amino-6-[(Z)-prop-1-enyl]cyclohexa-2,4-diene-1-carboxylic acid
PubChem CID68508745
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name6-amino-6-[(Z)-prop-1-enyl]cyclohexa-2,4-diene-1-carboxylic acid
SMILESC/C=C\C1(N)C=CC=CC1C(=O)O
InChIInChI=1S/C10H13NO2/c1-2-6-10(11)7-4-3-5-8(10)9(12)13/h2-8H,11H2,1H3,(H,12,13)/b6-2-
InChIKeyZTTLOMMLYLKNDO-KXFIGUGUSA-N
XLogP1.09
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-amino-6-[(Z)-prop-1-enyl]cyclohexa-2,4-diene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 68535560
CID 68535560
CID 19767075
CID 19767075
CID 22503897
CID 22503897
CID 66937788
CID 66937788
CID 70555495
CID 70555495
CID 140099818
CID 140099818
CID 149689787
CID 149689787
CID 150171058
CID 150171058
CID 151313684
CID 151313684
CID 129795163
CID 129795163
CID 129882356
CID 129882356
CID 17841463
CID 17841463

Frequently Asked Questions

What is the IUPAC name of 6-amino-6-[(Z)-prop-1-enyl]cyclohexa-2,4-diene-1-carboxylic acid?
The IUPAC name of 6-amino-6-[(Z)-prop-1-enyl]cyclohexa-2,4-diene-1-carboxylic acid (CID 68508745) is 6-amino-6-[(Z)-prop-1-enyl]cyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 6-amino-6-[(Z)-prop-1-enyl]cyclohexa-2,4-diene-1-carboxylic acid?
The canonical SMILES for 6-amino-6-[(Z)-prop-1-enyl]cyclohexa-2,4-diene-1-carboxylic acid is C/C=C\C1(N)C=CC=CC1C(=O)O.
What is the InChIKey of 6-amino-6-[(Z)-prop-1-enyl]cyclohexa-2,4-diene-1-carboxylic acid?
The InChIKey is ZTTLOMMLYLKNDO-KXFIGUGUSA-N. The full InChI is InChI=1S/C10H13NO2/c1-2-6-10(11)7-4-3-5-8(10)9(12)13/h2-8H,11H2,1H3,(H,12,13)/b6-2-.
What are the key properties of 6-amino-6-[(Z)-prop-1-enyl]cyclohexa-2,4-diene-1-carboxylic acid?
6-amino-6-[(Z)-prop-1-enyl]cyclohexa-2,4-diene-1-carboxylic acid has a molecular weight of 179.22 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-6-[(Z)-prop-1-enyl]cyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 68508745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).