1-[bis(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid

C11H15NO3 — CID 62095531

IUPAC1-[bis(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESC=CCN(CC=C)C(=O)C1(C(=O)O)CC1
InChIInChI=1S/C11H15NO3/c1-3-7-12(8-4-2)9(13)11(5-6-11)10(14)15/h3-4H,1-2,5-8H2,(H,14,15)
InChIKeyKBSCYJWNZVXANA-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.05
Rot. Bonds6

About 1-[bis(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid

1-[bis(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 62095531) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-[bis(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[bis(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID62095531
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name1-[bis(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESC=CCN(CC=C)C(=O)C1(C(=O)O)CC1
InChIInChI=1S/C11H15NO3/c1-3-7-12(8-4-2)9(13)11(5-6-11)10(14)15/h3-4H,1-2,5-8H2,(H,14,15)
InChIKeyKBSCYJWNZVXANA-UHFFFAOYSA-N
XLogP1.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[bis(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 62095531) is 1-[bis(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[bis(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[bis(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid is C=CCN(CC=C)C(=O)C1(C(=O)O)CC1.
What is the InChIKey of 1-[bis(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is KBSCYJWNZVXANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-7-12(8-4-2)9(13)11(5-6-11)10(14)15/h3-4H,1-2,5-8H2,(H,14,15).
What are the key properties of 1-[bis(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[bis(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 209.24 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62095531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).