(2,2-dichloro-1-methylcyclopropyl)-pyrrolidin-1-ylmethanone

C9H13Cl2NO — CID 4244250

IUPAC(2,2-dichloro-1-methylcyclopropyl)-pyrrolidin-1-ylmethanone
SMILESCC1(C(=O)N2CCCC2)CC1(Cl)Cl
InChIInChI=1S/C9H13Cl2NO/c1-8(6-9(8,10)11)7(13)12-4-2-3-5-12/h2-6H2,1H3
InChIKeyWHCVBXWCWCPIOV-UHFFFAOYSA-N
MW222.11 g/mol
LogP2.19
Rot. Bonds1

About (2,2-dichloro-1-methylcyclopropyl)-pyrrolidin-1-ylmethanone

(2,2-dichloro-1-methylcyclopropyl)-pyrrolidin-1-ylmethanone (PubChem CID 4244250) has the molecular formula C9H13Cl2NO and a molecular weight of 222.11 g/mol. Its IUPAC name is (2,2-dichloro-1-methylcyclopropyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2,2-dichloro-1-methylcyclopropyl)-pyrrolidin-1-ylmethanone
PubChem CID4244250
Molecular FormulaC9H13Cl2NO
Molecular Weight222.11 g/mol
Exact Mass221.04
IUPAC Name(2,2-dichloro-1-methylcyclopropyl)-pyrrolidin-1-ylmethanone
SMILESCC1(C(=O)N2CCCC2)CC1(Cl)Cl
InChIInChI=1S/C9H13Cl2NO/c1-8(6-9(8,10)11)7(13)12-4-2-3-5-12/h2-6H2,1H3
InChIKeyWHCVBXWCWCPIOV-UHFFFAOYSA-N
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78865272
[3-(Chloromethyl)pyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone
CID 131150903
(1-Methylcyclopropyl)-pyrrolidin-1-ylmethanone
CID 118460816
2,2-dichloro-N-ethyl-N-methylcyclopropane-1-carboxamide
CID 123206805
1-(3,3-Dichloro-4-methylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 169995020
[3-(Chloromethyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 63395652
2,2-dichloro-N,N-diethyl-1-methylcyclopropane-1-carboxamide
CID 78783668
2,2-dichloro-1-methyl-N,N-dipropylcyclopropane-1-carboxamide
CID 78784669
2,2-dichloro-N-(cyclopropylmethyl)-1-methyl-N-propylcyclopropane-1-carboxamide
CID 78786081
Azetidin-1-yl-(2,2-dichloro-1-methylcyclopropyl)methanone
CID 78819830
N-butyl-2,2-dichloro-N-methylcyclopropane-1-carboxamide
CID 78833364
2,2-dichloro-N,N-diethylcyclopropane-1-carboxamide
CID 78833690

Frequently Asked Questions

What is the IUPAC name of (2,2-dichloro-1-methylcyclopropyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2,2-dichloro-1-methylcyclopropyl)-pyrrolidin-1-ylmethanone (CID 4244250) is (2,2-dichloro-1-methylcyclopropyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2,2-dichloro-1-methylcyclopropyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2,2-dichloro-1-methylcyclopropyl)-pyrrolidin-1-ylmethanone is CC1(C(=O)N2CCCC2)CC1(Cl)Cl.
What is the InChIKey of (2,2-dichloro-1-methylcyclopropyl)-pyrrolidin-1-ylmethanone?
The InChIKey is WHCVBXWCWCPIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2NO/c1-8(6-9(8,10)11)7(13)12-4-2-3-5-12/h2-6H2,1H3.
What are the key properties of (2,2-dichloro-1-methylcyclopropyl)-pyrrolidin-1-ylmethanone?
(2,2-dichloro-1-methylcyclopropyl)-pyrrolidin-1-ylmethanone has a molecular weight of 222.11 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichloro-1-methylcyclopropyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 4244250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).