1-butylpyrrolidine-2-carboxamide

C9H18N2O — CID 19388617

IUPAC1-butylpyrrolidine-2-carboxamide
SMILESCCCCN1CCCC1C(N)=O
InChIInChI=1S/C9H18N2O/c1-2-3-6-11-7-4-5-8(11)9(10)12/h8H,2-7H2,1H3,(H2,10,12)
InChIKeyDUWFKLLOEYCHRL-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.74
Rot. Bonds4

About 1-butylpyrrolidine-2-carboxamide

1-butylpyrrolidine-2-carboxamide (PubChem CID 19388617) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-butylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-butylpyrrolidine-2-carboxamide
PubChem CID19388617
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-butylpyrrolidine-2-carboxamide
SMILESCCCCN1CCCC1C(N)=O
InChIInChI=1S/C9H18N2O/c1-2-3-6-11-7-4-5-8(11)9(10)12/h8H,2-7H2,1H3,(H2,10,12)
InChIKeyDUWFKLLOEYCHRL-UHFFFAOYSA-N
XLogP0.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

L-Prolinamide
CID 111306
Pyrrolidine-2-carboxamide
CID 550774
(2S)-aminobutyryl-L-proline isobutylamide
CID 11499834
(2S)-aminobutyryl-L-proline n-butylamide
CID 11514390
(2S)-aminobutyryl-L-proline n-pentylamide
CID 11615987
(2S)-aminobutyryl-L-proline n-propylamide
CID 11637307
(2S)-N-methylpyrrolidine-2-carboxamide
CID 10374482
(2S)-aminobutyryl-L-prolinamide
CID 11579307
(2S)-aminobutyryl-L-proline-(2S)-methylbutylamide
CID 11623159
L-leucyl-L-prolinamide
CID 11557656
L-valyl-L-prolinamide
CID 11615440
L-norleucyl-L-prolinamide
CID 11615534

Frequently Asked Questions

What is the IUPAC name of 1-butylpyrrolidine-2-carboxamide?
The IUPAC name of 1-butylpyrrolidine-2-carboxamide (CID 19388617) is 1-butylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-butylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-butylpyrrolidine-2-carboxamide is CCCCN1CCCC1C(N)=O.
What is the InChIKey of 1-butylpyrrolidine-2-carboxamide?
The InChIKey is DUWFKLLOEYCHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-3-6-11-7-4-5-8(11)9(10)12/h8H,2-7H2,1H3,(H2,10,12).
What are the key properties of 1-butylpyrrolidine-2-carboxamide?
1-butylpyrrolidine-2-carboxamide has a molecular weight of 170.26 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpyrrolidine-2-carboxamide is sourced from PubChem (CID 19388617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).