2-(cyclohex-3-en-1-ylcarbamoyl)cyclobutane-1-carboxylic acid

C12H17NO3 — CID 120976203

IUPAC2-(cyclohex-3-en-1-ylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NC1CC=CCC1
InChIInChI=1S/C12H17NO3/c14-11(9-6-7-10(9)12(15)16)13-8-4-2-1-3-5-8/h1-2,8-10H,3-7H2,(H,13,14)(H,15,16)
InChIKeyOJOCTKRZFMBFBJ-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.32
Rot. Bonds3

About 2-(cyclohex-3-en-1-ylcarbamoyl)cyclobutane-1-carboxylic acid

2-(cyclohex-3-en-1-ylcarbamoyl)cyclobutane-1-carboxylic acid (PubChem CID 120976203) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylcarbamoyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylcarbamoyl)cyclobutane-1-carboxylic acid
PubChem CID120976203
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-(cyclohex-3-en-1-ylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NC1CC=CCC1
InChIInChI=1S/C12H17NO3/c14-11(9-6-7-10(9)12(15)16)13-8-4-2-1-3-5-8/h1-2,8-10H,3-7H2,(H,13,14)(H,15,16)
InChIKeyOJOCTKRZFMBFBJ-UHFFFAOYSA-N
XLogP1.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.32
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

(1R,2S)-1-N-[(1R)-cyclohex-3-en-1-yl]-2-N-[(1S)-cyclohex-3-en-1-yl]cyclohex-4-ene-1,2-dicarboxamide
CID 97326490
(1S,6R)-6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 40569411
2-(cyclobutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 130735456
cis-(1R,3S)-3-(cyclohex-3-ene-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320857
1-cyclohex-3-en-1-yl-3-cyclopentylurea
CID 115640218
(1S,6S)-6-[(4-methylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 51427698
(1S,6R)-6-[(4-hydroxycyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 93365688
N-cyclohex-3-en-1-yl-4-(ethylamino)oxolane-3-carboxamide
CID 66258548
4-(aminomethyl)-N-cyclohex-3-en-1-ylcyclohexane-1-carboxamide
CID 79526988
3-[[(1R)-cyclohex-3-en-1-yl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 154872471
(1S,6R)-6-(piperidin-4-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962268
cis-(1S,2R)-2-(cyclohex-3-en-1-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 114092192

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-en-1-ylcarbamoyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(cyclohex-3-en-1-ylcarbamoyl)cyclobutane-1-carboxylic acid (CID 120976203) is 2-(cyclohex-3-en-1-ylcarbamoyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylcarbamoyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(cyclohex-3-en-1-ylcarbamoyl)cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)NC1CC=CCC1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylcarbamoyl)cyclobutane-1-carboxylic acid?
The InChIKey is OJOCTKRZFMBFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c14-11(9-6-7-10(9)12(15)16)13-8-4-2-1-3-5-8/h1-2,8-10H,3-7H2,(H,13,14)(H,15,16).
What are the key properties of 2-(cyclohex-3-en-1-ylcarbamoyl)cyclobutane-1-carboxylic acid?
2-(cyclohex-3-en-1-ylcarbamoyl)cyclobutane-1-carboxylic acid has a molecular weight of 223.27 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylcarbamoyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120976203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).