chloromethane;(2R)-pyrrolidine-2-carboxamide

C6H13ClN2O — CID 143336240

IUPACchloromethane;(2R)-pyrrolidine-2-carboxamide
SMILESCCl.NC(=O)[C@H]1CCCN1
InChIInChI=1S/C5H10N2O.CH3Cl/c6-5(8)4-2-1-3-7-4;1-2/h4,7H,1-3H2,(H2,6,8);1H3/t4-;/m1./s1
InChIKeyVUBLLZHWCUQDDS-PGMHMLKASA-N
MW164.64 g/mol
LogP0.08
Rot. Bonds1

About chloromethane;(2R)-pyrrolidine-2-carboxamide

chloromethane;(2R)-pyrrolidine-2-carboxamide (PubChem CID 143336240) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is chloromethane;(2R)-pyrrolidine-2-carboxamide.

Molecular Properties

Compound Namechloromethane;(2R)-pyrrolidine-2-carboxamide
PubChem CID143336240
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Namechloromethane;(2R)-pyrrolidine-2-carboxamide
SMILESCCl.NC(=O)[C@H]1CCCN1
InChIInChI=1S/C5H10N2O.CH3Cl/c6-5(8)4-2-1-3-7-4;1-2/h4,7H,1-3H2,(H2,6,8);1H3/t4-;/m1./s1
InChIKeyVUBLLZHWCUQDDS-PGMHMLKASA-N
XLogP0.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 50.08
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

pyrrolidine-2-carboxamide;dihydrobromide
CID 70056458
ethane;2-methylpentane;pyrrolidine-2-carboxamide
CID 177141949
(2S)-pyrrolidine-2-carboxylic acid;urea
CID 11629677
pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 20598954
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
benzene-1,3-dicarboxylic acid;2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-one;(2S)-pyrrolidine-2-carboxamide
CID 157368519
tert-butyl carbamate;(2S)-pyrrolidine-2-carboxylic acid
CID 69016089
(2S)-5-cyclopropylazepane-2-carboxamide
CID 163441383
methanethiol;pyrrolidine-2-carboxylic acid
CID 156719137

Frequently Asked Questions

What is the IUPAC name of chloromethane;(2R)-pyrrolidine-2-carboxamide?
The IUPAC name of chloromethane;(2R)-pyrrolidine-2-carboxamide (CID 143336240) is chloromethane;(2R)-pyrrolidine-2-carboxamide.
What is the SMILES notation for chloromethane;(2R)-pyrrolidine-2-carboxamide?
The canonical SMILES for chloromethane;(2R)-pyrrolidine-2-carboxamide is CCl.NC(=O)[C@H]1CCCN1.
What is the InChIKey of chloromethane;(2R)-pyrrolidine-2-carboxamide?
The InChIKey is VUBLLZHWCUQDDS-PGMHMLKASA-N. The full InChI is InChI=1S/C5H10N2O.CH3Cl/c6-5(8)4-2-1-3-7-4;1-2/h4,7H,1-3H2,(H2,6,8);1H3/t4-;/m1./s1.
What are the key properties of chloromethane;(2R)-pyrrolidine-2-carboxamide?
chloromethane;(2R)-pyrrolidine-2-carboxamide has a molecular weight of 164.64 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;(2R)-pyrrolidine-2-carboxamide is sourced from PubChem (CID 143336240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).