N-[(2-methylpyrrolidin-2-yl)methyl]propanamide

C9H18N2O — CID 114761754

IUPACN-[(2-methylpyrrolidin-2-yl)methyl]propanamide
SMILESCCC(=O)NCC1(C)CCCN1
InChIInChI=1S/C9H18N2O/c1-3-8(12)10-7-9(2)5-4-6-11-9/h11H,3-7H2,1-2H3,(H,10,12)
InChIKeyRKRBELDRDOACDT-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.65
Rot. Bonds3

About N-[(2-methylpyrrolidin-2-yl)methyl]propanamide

N-[(2-methylpyrrolidin-2-yl)methyl]propanamide (PubChem CID 114761754) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[(2-methylpyrrolidin-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(2-methylpyrrolidin-2-yl)methyl]propanamide
PubChem CID114761754
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[(2-methylpyrrolidin-2-yl)methyl]propanamide
SMILESCCC(=O)NCC1(C)CCCN1
InChIInChI=1S/C9H18N2O/c1-3-8(12)10-7-9(2)5-4-6-11-9/h11H,3-7H2,1-2H3,(H,10,12)
InChIKeyRKRBELDRDOACDT-UHFFFAOYSA-N
XLogP0.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylpyrrolidin-2-yl)methyl]hexanamide
CID 114761896
1-(3-methylbutan-2-yl)-3-[(2-methylpyrrolidin-2-yl)methyl]urea
CID 165463454
N-[(2-methylpyrrolidin-2-yl)methyl]-2-pyrazol-1-ylacetamide
CID 114761752
N-[(2-methylpyrrolidin-2-yl)methyl]prop-2-ynamide
CID 130542642
N-[(2-methylpyrrolidin-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 114761889
N-[(2-methylpyrrolidin-2-yl)methyl]-2-(oxolan-2-yl)acetamide
CID 114761731
3-methyl-3-[(2-methylpyrrolidin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 146143135
N-[(2-methylpyrrolidin-2-yl)methyl]furan-3-carboxamide
CID 114761851
(2-methylpyrrolidin-2-yl)methyl carbamate
CID 175172887
2-methyl-N-[(2-methylpyrrolidin-2-yl)methyl]-2-phenylpropanamide
CID 114761846
2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide
CID 114761726
2,5-dihydroxy-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide
CID 107721880

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrrolidin-2-yl)methyl]propanamide?
The IUPAC name of N-[(2-methylpyrrolidin-2-yl)methyl]propanamide (CID 114761754) is N-[(2-methylpyrrolidin-2-yl)methyl]propanamide.
What is the SMILES notation for N-[(2-methylpyrrolidin-2-yl)methyl]propanamide?
The canonical SMILES for N-[(2-methylpyrrolidin-2-yl)methyl]propanamide is CCC(=O)NCC1(C)CCCN1.
What is the InChIKey of N-[(2-methylpyrrolidin-2-yl)methyl]propanamide?
The InChIKey is RKRBELDRDOACDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-8(12)10-7-9(2)5-4-6-11-9/h11H,3-7H2,1-2H3,(H,10,12).
What are the key properties of N-[(2-methylpyrrolidin-2-yl)methyl]propanamide?
N-[(2-methylpyrrolidin-2-yl)methyl]propanamide has a molecular weight of 170.26 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrrolidin-2-yl)methyl]propanamide is sourced from PubChem (CID 114761754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).