N-cyclopentyl-7,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide

C15H21NO3 — CID 18834318

IUPACN-cyclopentyl-7,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)C2CCC1(C(=O)NC1CCCC1)C(=O)C2=O
InChIInChI=1S/C15H21NO3/c1-14(2)10-7-8-15(14,12(18)11(10)17)13(19)16-9-5-3-4-6-9/h9-10H,3-8H2,1-2H3,(H,16,19)
InChIKeyZVMYPQGKFFMJAQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.62
Rot. Bonds2

About N-cyclopentyl-7,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide

N-cyclopentyl-7,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 18834318) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-cyclopentyl-7,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-7,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID18834318
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-cyclopentyl-7,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)C2CCC1(C(=O)NC1CCCC1)C(=O)C2=O
InChIInChI=1S/C15H21NO3/c1-14(2)10-7-8-15(14,12(18)11(10)17)13(19)16-9-5-3-4-6-9/h9-10H,3-8H2,1-2H3,(H,16,19)
InChIKeyZVMYPQGKFFMJAQ-UHFFFAOYSA-N
XLogP1.62
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-7,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-cyclopentyl-7,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide (CID 18834318) is N-cyclopentyl-7,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-7,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-7,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide is CC1(C)C2CCC1(C(=O)NC1CCCC1)C(=O)C2=O.
What is the InChIKey of N-cyclopentyl-7,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is ZVMYPQGKFFMJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-14(2)10-7-8-15(14,12(18)11(10)17)13(19)16-9-5-3-4-6-9/h9-10H,3-8H2,1-2H3,(H,16,19).
What are the key properties of N-cyclopentyl-7,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide?
N-cyclopentyl-7,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-7,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 18834318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).