N-butyl-N-(pyrrolidin-2-ylmethyl)cyclopent-3-ene-1-carboxamide

C15H26N2O — CID 106612077

IUPACN-butyl-N-(pyrrolidin-2-ylmethyl)cyclopent-3-ene-1-carboxamide
SMILESCCCCN(CC1CCCN1)C(=O)C1CC=CC1
InChIInChI=1S/C15H26N2O/c1-2-3-11-17(12-14-9-6-10-16-14)15(18)13-7-4-5-8-13/h4-5,13-14,16H,2-3,6-12H2,1H3
InChIKeyKAFQOBLPJWNPNS-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.33
Rot. Bonds6

About N-butyl-N-(pyrrolidin-2-ylmethyl)cyclopent-3-ene-1-carboxamide

N-butyl-N-(pyrrolidin-2-ylmethyl)cyclopent-3-ene-1-carboxamide (PubChem CID 106612077) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-butyl-N-(pyrrolidin-2-ylmethyl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(pyrrolidin-2-ylmethyl)cyclopent-3-ene-1-carboxamide
PubChem CID106612077
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-butyl-N-(pyrrolidin-2-ylmethyl)cyclopent-3-ene-1-carboxamide
SMILESCCCCN(CC1CCCN1)C(=O)C1CC=CC1
InChIInChI=1S/C15H26N2O/c1-2-3-11-17(12-14-9-6-10-16-14)15(18)13-7-4-5-8-13/h4-5,13-14,16H,2-3,6-12H2,1H3
InChIKeyKAFQOBLPJWNPNS-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 106611873
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclobutanecarboxamide
CID 106610516
1-butyl-3,3-dimethyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613384
N-butyl-N-(pyrrolidin-2-ylmethyl)oxane-2-carboxamide
CID 106612018
N-(piperidin-2-ylmethyl)-N-propylcyclooctanecarboxamide
CID 106625676
N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612022
N-(2-hydroxyethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide
CID 106612534
N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612351
N-(piperidin-2-ylmethyl)-N-propylbicyclo[3.1.0]hexane-3-carboxamide
CID 106625572
N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610345
N-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612332
2-bromo-N-butyl-6-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611910

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(pyrrolidin-2-ylmethyl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-butyl-N-(pyrrolidin-2-ylmethyl)cyclopent-3-ene-1-carboxamide (CID 106612077) is N-butyl-N-(pyrrolidin-2-ylmethyl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-butyl-N-(pyrrolidin-2-ylmethyl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-butyl-N-(pyrrolidin-2-ylmethyl)cyclopent-3-ene-1-carboxamide is CCCCN(CC1CCCN1)C(=O)C1CC=CC1.
What is the InChIKey of N-butyl-N-(pyrrolidin-2-ylmethyl)cyclopent-3-ene-1-carboxamide?
The InChIKey is KAFQOBLPJWNPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-2-3-11-17(12-14-9-6-10-16-14)15(18)13-7-4-5-8-13/h4-5,13-14,16H,2-3,6-12H2,1H3.
What are the key properties of N-butyl-N-(pyrrolidin-2-ylmethyl)cyclopent-3-ene-1-carboxamide?
N-butyl-N-(pyrrolidin-2-ylmethyl)cyclopent-3-ene-1-carboxamide has a molecular weight of 250.39 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(pyrrolidin-2-ylmethyl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 106612077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).