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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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).