N-[1-(2-chloroacetyl)pyrrolidin-3-yl]propanamide

C9H15ClN2O2 — CID 154848050

IUPACN-[1-(2-chloroacetyl)pyrrolidin-3-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)CCl)C1
InChIInChI=1S/C9H15ClN2O2/c1-2-8(13)11-7-3-4-12(6-7)9(14)5-10/h7H,2-6H2,1H3,(H,11,13)
InChIKeyBJPQVSQWWGZMBR-UHFFFAOYSA-N
MW218.68 g/mol
LogP0.35
Rot. Bonds3

About N-[1-(2-chloroacetyl)pyrrolidin-3-yl]propanamide

N-[1-(2-chloroacetyl)pyrrolidin-3-yl]propanamide (PubChem CID 154848050) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is N-[1-(2-chloroacetyl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[1-(2-chloroacetyl)pyrrolidin-3-yl]propanamide
PubChem CID154848050
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC NameN-[1-(2-chloroacetyl)pyrrolidin-3-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)CCl)C1
InChIInChI=1S/C9H15ClN2O2/c1-2-8(13)11-7-3-4-12(6-7)9(14)5-10/h7H,2-6H2,1H3,(H,11,13)
InChIKeyBJPQVSQWWGZMBR-UHFFFAOYSA-N
XLogP0.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 50.35
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-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanamide
CID 110871450
ethane;N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide
CID 176702681
(3S)-3-[(2-chloroacetyl)amino]pyrrolidine-1-carboxylic acid
CID 126666154
3-[(2-chloroacetyl)amino]pyrrolidine-1-carboxamide
CID 130678398
2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 58168404
N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]propanamide
CID 130272361
N-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]propanamide
CID 65466835
N-[1-[3-(propan-2-ylamino)propanoyl]piperidin-4-yl]propanamide
CID 54872195
N-cyclohexyl-4-(propanoylamino)piperidine-1-carboxamide
CID 110820925
N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108562763
N-[1-[4-(propan-2-ylamino)butanoyl]piperidin-4-yl]propanamide
CID 60947455
tert-butyl N-[1-(2-chloroacetyl)piperidin-3-yl]carbamate
CID 66566123

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloroacetyl)pyrrolidin-3-yl]propanamide?
The IUPAC name of N-[1-(2-chloroacetyl)pyrrolidin-3-yl]propanamide (CID 154848050) is N-[1-(2-chloroacetyl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for N-[1-(2-chloroacetyl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for N-[1-(2-chloroacetyl)pyrrolidin-3-yl]propanamide is CCC(=O)NC1CCN(C(=O)CCl)C1.
What is the InChIKey of N-[1-(2-chloroacetyl)pyrrolidin-3-yl]propanamide?
The InChIKey is BJPQVSQWWGZMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O2/c1-2-8(13)11-7-3-4-12(6-7)9(14)5-10/h7H,2-6H2,1H3,(H,11,13).
What are the key properties of N-[1-(2-chloroacetyl)pyrrolidin-3-yl]propanamide?
N-[1-(2-chloroacetyl)pyrrolidin-3-yl]propanamide has a molecular weight of 218.68 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloroacetyl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 154848050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).