3-[bis(prop-2-enyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate

C15H20NO3- — CID 73136216

IUPAC3-[bis(prop-2-enyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
SMILESC=CCN(CC=C)C(=O)C1C2CCC(C2)C1C(=O)[O-]
InChIInChI=1S/C15H21NO3/c1-3-7-16(8-4-2)14(17)12-10-5-6-11(9-10)13(12)15(18)19/h3-4,10-13H,1-2,5-9H2,(H,18,19)/p-1
InChIKeyFCKLUYADEWMDCC-UHFFFAOYSA-M
MW262.33 g/mol
LogP0.60
Rot. Bonds6

About 3-[bis(prop-2-enyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate

3-[bis(prop-2-enyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 73136216) has the molecular formula C15H20NO3- and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-[bis(prop-2-enyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Name3-[bis(prop-2-enyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
PubChem CID73136216
Molecular FormulaC15H20NO3-
Molecular Weight262.33 g/mol
Exact Mass262.14
IUPAC Name3-[bis(prop-2-enyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
SMILESC=CCN(CC=C)C(=O)C1C2CCC(C2)C1C(=O)[O-]
InChIInChI=1S/C15H21NO3/c1-3-7-16(8-4-2)14(17)12-10-5-6-11(9-10)13(12)15(18)19/h3-4,10-13H,1-2,5-9H2,(H,18,19)/p-1
InChIKeyFCKLUYADEWMDCC-UHFFFAOYSA-M
XLogP0.60
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(prop-2-enyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of 3-[bis(prop-2-enyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate (CID 73136216) is 3-[bis(prop-2-enyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for 3-[bis(prop-2-enyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for 3-[bis(prop-2-enyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate is C=CCN(CC=C)C(=O)C1C2CCC(C2)C1C(=O)[O-].
What is the InChIKey of 3-[bis(prop-2-enyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is FCKLUYADEWMDCC-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H21NO3/c1-3-7-16(8-4-2)14(17)12-10-5-6-11(9-10)13(12)15(18)19/h3-4,10-13H,1-2,5-9H2,(H,18,19)/p-1.
What are the key properties of 3-[bis(prop-2-enyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate?
3-[bis(prop-2-enyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 262.33 g/mol, XLogP of 0.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(prop-2-enyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 73136216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).