N-(7-methyl-2-bicyclo[3.3.1]non-1(8)-enyl)-1-propylpyrrolidine-2-carboxamide

C18H30N2O — CID 147520288

IUPACN-(7-methyl-2-bicyclo[3.3.1]non-1(8)-enyl)-1-propylpyrrolidine-2-carboxamide
SMILESCCCN1CCCC1C(=O)NC1CCC2CC1=CC(C)C2
InChIInChI=1S/C18H30N2O/c1-3-8-20-9-4-5-17(20)18(21)19-16-7-6-14-10-13(2)11-15(16)12-14/h11,13-14,16-17H,3-10,12H2,1-2H3,(H,19,21)
InChIKeyFLAIDRMWVVOBRU-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.11
Rot. Bonds4

About N-(7-methyl-2-bicyclo[3.3.1]non-1(8)-enyl)-1-propylpyrrolidine-2-carboxamide

N-(7-methyl-2-bicyclo[3.3.1]non-1(8)-enyl)-1-propylpyrrolidine-2-carboxamide (PubChem CID 147520288) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(7-methyl-2-bicyclo[3.3.1]non-1(8)-enyl)-1-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(7-methyl-2-bicyclo[3.3.1]non-1(8)-enyl)-1-propylpyrrolidine-2-carboxamide
PubChem CID147520288
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(7-methyl-2-bicyclo[3.3.1]non-1(8)-enyl)-1-propylpyrrolidine-2-carboxamide
SMILESCCCN1CCCC1C(=O)NC1CCC2CC1=CC(C)C2
InChIInChI=1S/C18H30N2O/c1-3-8-20-9-4-5-17(20)18(21)19-16-7-6-14-10-13(2)11-15(16)12-14/h11,13-14,16-17H,3-10,12H2,1-2H3,(H,19,21)
InChIKeyFLAIDRMWVVOBRU-UHFFFAOYSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(7-methyl-2-bicyclo[3.3.1]non-1(8)-enyl)-1-propylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-2-bicyclo[3.3.1]non-1(8)-enyl)-1-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(7-methyl-2-bicyclo[3.3.1]non-1(8)-enyl)-1-propylpyrrolidine-2-carboxamide (CID 147520288) is N-(7-methyl-2-bicyclo[3.3.1]non-1(8)-enyl)-1-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(7-methyl-2-bicyclo[3.3.1]non-1(8)-enyl)-1-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(7-methyl-2-bicyclo[3.3.1]non-1(8)-enyl)-1-propylpyrrolidine-2-carboxamide is CCCN1CCCC1C(=O)NC1CCC2CC1=CC(C)C2.
What is the InChIKey of N-(7-methyl-2-bicyclo[3.3.1]non-1(8)-enyl)-1-propylpyrrolidine-2-carboxamide?
The InChIKey is FLAIDRMWVVOBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-8-20-9-4-5-17(20)18(21)19-16-7-6-14-10-13(2)11-15(16)12-14/h11,13-14,16-17H,3-10,12H2,1-2H3,(H,19,21).
What are the key properties of N-(7-methyl-2-bicyclo[3.3.1]non-1(8)-enyl)-1-propylpyrrolidine-2-carboxamide?
N-(7-methyl-2-bicyclo[3.3.1]non-1(8)-enyl)-1-propylpyrrolidine-2-carboxamide has a molecular weight of 290.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-2-bicyclo[3.3.1]non-1(8)-enyl)-1-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 147520288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).