2-(cyclohex-2-en-1-ylamino)benzoic acid

C13H15NO2 — CID 56648257

IUPAC2-(cyclohex-2-en-1-ylamino)benzoic acid
SMILESO=C(O)c1ccccc1NC1C=CCCC1
InChIInChI=1S/C13H15NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h2,4-6,8-10,14H,1,3,7H2,(H,15,16)
InChIKeySSMTTXQULUQSHY-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.91
Rot. Bonds3

About 2-(cyclohex-2-en-1-ylamino)benzoic acid

2-(cyclohex-2-en-1-ylamino)benzoic acid (PubChem CID 56648257) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(cyclohex-2-en-1-ylamino)benzoic acid.

Molecular Properties

Compound Name2-(cyclohex-2-en-1-ylamino)benzoic acid
PubChem CID56648257
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(cyclohex-2-en-1-ylamino)benzoic acid
SMILESO=C(O)c1ccccc1NC1C=CCCC1
InChIInChI=1S/C13H15NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h2,4-6,8-10,14H,1,3,7H2,(H,15,16)
InChIKeySSMTTXQULUQSHY-UHFFFAOYSA-N
XLogP2.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-ethylsulfanylcyclopentyl)amino]benzoic acid
CID 114121676
2-bromo-N-cyclohex-2-en-1-yl-3-methylaniline
CID 107907589
(2E)-N-(2-methylsulfanylphenyl)cyclooct-2-en-1-amine
CID 114227908
(2S)-N-[(1R)-cyclohex-2-en-1-yl]-2-methoxy-2-phenylacetamide
CID 10060436
N-[(2Z)-cyclooct-2-en-1-yl]benzamide
CID 101020756
2-[(2-pyrrolidin-2-ylcyclopentyl)amino]benzoic acid
CID 79544346
benzyl N-[(1S)-cyclohex-2-en-1-yl]carbamate
CID 129365778
2-(cycloheptanecarbonylamino)benzoic acid
CID 55091870
2-[(3-phenylcyclobutyl)amino]benzoic acid
CID 43632305
methyl 2-(cyclohex-2-en-1-ylamino)-2-phenylacetate
CID 115618836
(2E)-N-(3-fluoro-2-methylphenyl)cyclooct-2-en-1-amine
CID 114227803
2-(dicyclopropylmethylcarbamoylamino)benzoic acid
CID 61480864

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-2-en-1-ylamino)benzoic acid?
The IUPAC name of 2-(cyclohex-2-en-1-ylamino)benzoic acid (CID 56648257) is 2-(cyclohex-2-en-1-ylamino)benzoic acid.
What is the SMILES notation for 2-(cyclohex-2-en-1-ylamino)benzoic acid?
The canonical SMILES for 2-(cyclohex-2-en-1-ylamino)benzoic acid is O=C(O)c1ccccc1NC1C=CCCC1.
What is the InChIKey of 2-(cyclohex-2-en-1-ylamino)benzoic acid?
The InChIKey is SSMTTXQULUQSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h2,4-6,8-10,14H,1,3,7H2,(H,15,16).
What are the key properties of 2-(cyclohex-2-en-1-ylamino)benzoic acid?
2-(cyclohex-2-en-1-ylamino)benzoic acid has a molecular weight of 217.27 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-2-en-1-ylamino)benzoic acid is sourced from PubChem (CID 56648257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).