2-(pent-4-enylcarbamoyl)cyclopropane-1-carboxylic acid

C10H15NO3 — CID 165351929

IUPAC2-(pent-4-enylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESC=CCCCNC(=O)C1CC1C(=O)O
InChIInChI=1S/C10H15NO3/c1-2-3-4-5-11-9(12)7-6-8(7)10(13)14/h2,7-8H,1,3-6H2,(H,11,12)(H,13,14)
InChIKeyDBDBHAZMUBXGFW-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.79
Rot. Bonds6

About 2-(pent-4-enylcarbamoyl)cyclopropane-1-carboxylic acid

2-(pent-4-enylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 165351929) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(pent-4-enylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(pent-4-enylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID165351929
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-(pent-4-enylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESC=CCCCNC(=O)C1CC1C(=O)O
InChIInChI=1S/C10H15NO3/c1-2-3-4-5-11-9(12)7-6-8(7)10(13)14/h2,7-8H,1,3-6H2,(H,11,12)(H,13,14)
InChIKeyDBDBHAZMUBXGFW-UHFFFAOYSA-N
XLogP0.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(hept-6-enylcarbamoyl)bicyclo[3.1.0]hexane-2-carboxylic acid
CID 89493365
2-[(4-amino-4-oxobutyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60864450
2-(4-hydroxypentylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106120324
trans-(1R,2R)-2-(4-methylsulfanylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 99716413
3-(but-3-enylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103551169
2-(ethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084458
trans-(1S,2S)-2-(3-cyclohexyloxypropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93365859
2-(2-butoxyethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61171060
2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60980682
2-(3-cyclopentylpropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 106003676
2-(3-ethoxypropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114390371
2-(3-cyclopropylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114512158

Frequently Asked Questions

What is the IUPAC name of 2-(pent-4-enylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(pent-4-enylcarbamoyl)cyclopropane-1-carboxylic acid (CID 165351929) is 2-(pent-4-enylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(pent-4-enylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(pent-4-enylcarbamoyl)cyclopropane-1-carboxylic acid is C=CCCCNC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-(pent-4-enylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is DBDBHAZMUBXGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-3-4-5-11-9(12)7-6-8(7)10(13)14/h2,7-8H,1,3-6H2,(H,11,12)(H,13,14).
What are the key properties of 2-(pent-4-enylcarbamoyl)cyclopropane-1-carboxylic acid?
2-(pent-4-enylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pent-4-enylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 165351929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).