2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide

C10H17ClN2O — CID 60809819

IUPAC2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
SMILESO=C(CCl)NCC1CCN(C2CC2)C1
InChIInChI=1S/C10H17ClN2O/c11-5-10(14)12-6-8-3-4-13(7-8)9-1-2-9/h8-9H,1-7H2,(H,12,14)
InChIKeyVZGAEIYUMQXTLS-UHFFFAOYSA-N
MW216.71 g/mol
LogP0.83
Rot. Bonds4

About 2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide

2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide (PubChem CID 60809819) has the molecular formula C10H17ClN2O and a molecular weight of 216.71 g/mol. Its IUPAC name is 2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
PubChem CID60809819
Molecular FormulaC10H17ClN2O
Molecular Weight216.71 g/mol
Exact Mass216.10
IUPAC Name2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
SMILESO=C(CCl)NCC1CCN(C2CC2)C1
InChIInChI=1S/C10H17ClN2O/c11-5-10(14)12-6-8-3-4-13(7-8)9-1-2-9/h8-9H,1-7H2,(H,12,14)
InChIKeyVZGAEIYUMQXTLS-UHFFFAOYSA-N
XLogP0.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 50.83
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

3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid
CID 62231885
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide
CID 60975912
6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid
CID 60856961
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(methylamino)butanamide
CID 60859292
5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 54927021
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-propan-2-yloxyacetamide
CID 112686924
[1-(oxan-4-yl)pyrrolidin-3-yl]methylcarbamic acid
CID 67502447
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119854841
5-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 121494274
2-[1-(aminomethyl)cyclohexyl]-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
CID 104677736
4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 60856813
2-hydroxyethyl N-[(1-cyclopropylpyrrolidin-3-yl)methyl]carbamate
CID 79348875

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide (CID 60809819) is 2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide is O=C(CCl)NCC1CCN(C2CC2)C1.
What is the InChIKey of 2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide?
The InChIKey is VZGAEIYUMQXTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O/c11-5-10(14)12-6-8-3-4-13(7-8)9-1-2-9/h8-9H,1-7H2,(H,12,14).
What are the key properties of 2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide?
2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide has a molecular weight of 216.71 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 60809819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).