2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide

C11H21ClN2O — CID 62992796

IUPAC2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(CNC(=O)C(C)Cl)CN1CCCC1
InChIInChI=1S/C11H21ClN2O/c1-9(7-13-11(15)10(2)12)8-14-5-3-4-6-14/h9-10H,3-8H2,1-2H3,(H,13,15)
InChIKeyZIDIXMXPLMUYMX-UHFFFAOYSA-N
MW232.75 g/mol
LogP1.46
Rot. Bonds5

About 2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide

2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide (PubChem CID 62992796) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
PubChem CID62992796
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(CNC(=O)C(C)Cl)CN1CCCC1
InChIInChI=1S/C11H21ClN2O/c1-9(7-13-11(15)10(2)12)8-14-5-3-4-6-14/h9-10H,3-8H2,1-2H3,(H,13,15)
InChIKeyZIDIXMXPLMUYMX-UHFFFAOYSA-N
XLogP1.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
2-amino-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide
CID 54906618
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
2-amino-4-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pentanamide
CID 54906759
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide
CID 103929423
3-amino-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoic acid
CID 64897097
methyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2-oxoacetate
CID 112617205
2-(ethylamino)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62993703
2-methoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61061515
4-amino-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-oxopentanoic acid
CID 64890132
2-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 114328650
4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide
CID 62060306

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide?
The IUPAC name of 2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide (CID 62992796) is 2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide?
The canonical SMILES for 2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide is CC(CNC(=O)C(C)Cl)CN1CCCC1.
What is the InChIKey of 2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide?
The InChIKey is ZIDIXMXPLMUYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2O/c1-9(7-13-11(15)10(2)12)8-14-5-3-4-6-14/h9-10H,3-8H2,1-2H3,(H,13,15).
What are the key properties of 2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide?
2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide has a molecular weight of 232.75 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide is sourced from PubChem (CID 62992796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).