N-butyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide

C13H22N2O2 — CID 108970977

IUPACN-butyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCCCNC(=O)C1(C(=O)N2CCCC2)CC1
InChIInChI=1S/C13H22N2O2/c1-2-3-8-14-11(16)13(6-7-13)12(17)15-9-4-5-10-15/h2-10H2,1H3,(H,14,16)
InChIKeyFTGRTJVGNRZQKH-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.31
Rot. Bonds5

About N-butyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide

N-butyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108970977) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-butyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108970977
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-butyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCCCNC(=O)C1(C(=O)N2CCCC2)CC1
InChIInChI=1S/C13H22N2O2/c1-2-3-8-14-11(16)13(6-7-13)12(17)15-9-4-5-10-15/h2-10H2,1H3,(H,14,16)
InChIKeyFTGRTJVGNRZQKH-UHFFFAOYSA-N
XLogP1.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[1-(butylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108971033
1-(morpholine-4-carbonyl)-N-pentylcyclopropane-1-carboxamide
CID 108973097
ethyl 4-[1-(pentylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108978683
N-(3-methoxypropyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972855
1-N-butyl-1-N'-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108970983
1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide
CID 132573279
1-N'-hexyl-1-N-methylcyclobutane-1,1-dicarboxamide
CID 71878534
N-(2,6-diethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971661
1-N-butyl-1-N'-cycloheptylcyclopropane-1,1-dicarboxamide
CID 108971049
N-butyl-1-ethylcyclopropane-1-carboxamide;ethane
CID 171795822
1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 108972894
N-butyl-2-[(2-oxo-2-piperidin-1-ylethyl)amino]acetamide
CID 112685302

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-butyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide (CID 108970977) is N-butyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-butyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-butyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide is CCCCNC(=O)C1(C(=O)N2CCCC2)CC1.
What is the InChIKey of N-butyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is FTGRTJVGNRZQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-3-8-14-11(16)13(6-7-13)12(17)15-9-4-5-10-15/h2-10H2,1H3,(H,14,16).
What are the key properties of N-butyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
N-butyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108970977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).