2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide

C7H13ClN2O — CID 71302527

IUPAC2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESO=C(CCl)NCC1CCCN1
InChIInChI=1S/C7H13ClN2O/c8-4-7(11)10-5-6-2-1-3-9-6/h6,9H,1-5H2,(H,10,11)
InChIKeyPKMMWRUPTXMRMV-UHFFFAOYSA-N
MW176.65 g/mol
LogP0.09
Rot. Bonds3

About 2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide

2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide (PubChem CID 71302527) has the molecular formula C7H13ClN2O and a molecular weight of 176.65 g/mol. Its IUPAC name is 2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
PubChem CID71302527
Molecular FormulaC7H13ClN2O
Molecular Weight176.65 g/mol
Exact Mass176.07
IUPAC Name2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESO=C(CCl)NCC1CCCN1
InChIInChI=1S/C7H13ClN2O/c8-4-7(11)10-5-6-2-1-3-9-6/h6,9H,1-5H2,(H,10,11)
InChIKeyPKMMWRUPTXMRMV-UHFFFAOYSA-N
XLogP0.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide
CID 177056000
[(2S)-piperidin-2-yl]methylcarbamic acid
CID 67090489
2-(azocan-1-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
CID 122562256
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
2-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)acetamide
CID 112701289
2,2-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]propanamide
CID 119512467
3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride
CID 119511693
2-tert-butylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540759
2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 62542506
2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 63045287
1-(3-hydroxypropyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117234373
2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
CID 67166754

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide?
The IUPAC name of 2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide (CID 71302527) is 2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide is O=C(CCl)NCC1CCCN1.
What is the InChIKey of 2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide?
The InChIKey is PKMMWRUPTXMRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN2O/c8-4-7(11)10-5-6-2-1-3-9-6/h6,9H,1-5H2,(H,10,11).
What are the key properties of 2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide?
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide has a molecular weight of 176.65 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide is sourced from PubChem (CID 71302527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).