N-butylbicyclo[2.2.1]heptane-2-carboxamide

C12H21NO — CID 4986879

IUPACN-butylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCCCCNC(=O)C1CC2CCC1C2
InChIInChI=1S/C12H21NO/c1-2-3-6-13-12(14)11-8-9-4-5-10(11)7-9/h9-11H,2-8H2,1H3,(H,13,14)
InChIKeyKQFMHWYRMVMWEF-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.34
Rot. Bonds4

About N-butylbicyclo[2.2.1]heptane-2-carboxamide

N-butylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 4986879) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-butylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-butylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID4986879
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-butylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCCCCNC(=O)C1CC2CCC1C2
InChIInChI=1S/C12H21NO/c1-2-3-6-13-12(14)11-8-9-4-5-10(11)7-9/h9-11H,2-8H2,1H3,(H,13,14)
InChIKeyKQFMHWYRMVMWEF-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-butylbicyclo[2.2.1]heptane-2-carboxamide (CID 4986879) is N-butylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-butylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-butylbicyclo[2.2.1]heptane-2-carboxamide is CCCCNC(=O)C1CC2CCC1C2.
What is the InChIKey of N-butylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is KQFMHWYRMVMWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-3-6-13-12(14)11-8-9-4-5-10(11)7-9/h9-11H,2-8H2,1H3,(H,13,14).
What are the key properties of N-butylbicyclo[2.2.1]heptane-2-carboxamide?
N-butylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 195.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 4986879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).