4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide

C10H19ClN2O — CID 106019327

IUPAC4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
SMILESCN1CCCC1CNC(=O)CCCCl
InChIInChI=1S/C10H19ClN2O/c1-13-7-3-4-9(13)8-12-10(14)5-2-6-11/h9H,2-8H2,1H3,(H,12,14)
InChIKeyOPNTVULBDUJSGM-UHFFFAOYSA-N
MW218.73 g/mol
LogP1.22
Rot. Bonds5

About 4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide

4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide (PubChem CID 106019327) has the molecular formula C10H19ClN2O and a molecular weight of 218.73 g/mol. Its IUPAC name is 4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
PubChem CID106019327
Molecular FormulaC10H19ClN2O
Molecular Weight218.73 g/mol
Exact Mass218.12
IUPAC Name4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
SMILESCN1CCCC1CNC(=O)CCCCl
InChIInChI=1S/C10H19ClN2O/c1-13-7-3-4-9(13)8-12-10(14)5-2-6-11/h9H,2-8H2,1H3,(H,12,14)
InChIKeyOPNTVULBDUJSGM-UHFFFAOYSA-N
XLogP1.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.73
LogP ≤ 51.22
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-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 106019321
3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid
CID 106021158
2-[methyl-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]amino]acetic acid
CID 106020947
2-[1-(methylamino)cyclohexyl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 106026215
2-cyclohexyl-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methylamino]-2-oxoethyl]acetamide
CID 94822117
N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106022346
1-amino-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814042
3-amino-3-hydroxyimino-N-[(1-methylpiperidin-2-yl)methyl]propanamide
CID 76930279
4-(chloromethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 114137648
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 131228052
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199
4-chloro-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 106128030

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide?
The IUPAC name of 4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide (CID 106019327) is 4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide.
What is the SMILES notation for 4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide?
The canonical SMILES for 4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide is CN1CCCC1CNC(=O)CCCCl.
What is the InChIKey of 4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide?
The InChIKey is OPNTVULBDUJSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O/c1-13-7-3-4-9(13)8-12-10(14)5-2-6-11/h9H,2-8H2,1H3,(H,12,14).
What are the key properties of 4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide?
4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide has a molecular weight of 218.73 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide is sourced from PubChem (CID 106019327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).