[3-(chloromethyl)pyrrolidin-1-yl]-cyclopropylmethanone

C9H14ClNO — CID 63395652

IUPAC[3-(chloromethyl)pyrrolidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCC(CCl)C1
InChIInChI=1S/C9H14ClNO/c10-5-7-3-4-11(6-7)9(12)8-1-2-8/h7-8H,1-6H2
InChIKeyYGQOQQBSOGNFOK-UHFFFAOYSA-N
MW187.67 g/mol
LogP1.48
Rot. Bonds2

About [3-(chloromethyl)pyrrolidin-1-yl]-cyclopropylmethanone

[3-(chloromethyl)pyrrolidin-1-yl]-cyclopropylmethanone (PubChem CID 63395652) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is [3-(chloromethyl)pyrrolidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-(chloromethyl)pyrrolidin-1-yl]-cyclopropylmethanone
PubChem CID63395652
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name[3-(chloromethyl)pyrrolidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCC(CCl)C1
InChIInChI=1S/C9H14ClNO/c10-5-7-3-4-11(6-7)9(12)8-1-2-8/h7-8H,1-6H2
InChIKeyYGQOQQBSOGNFOK-UHFFFAOYSA-N
XLogP1.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(chloromethyl)pyrrolidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [3-(chloromethyl)pyrrolidin-1-yl]-cyclopropylmethanone (CID 63395652) is [3-(chloromethyl)pyrrolidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-(chloromethyl)pyrrolidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [3-(chloromethyl)pyrrolidin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCC(CCl)C1.
What is the InChIKey of [3-(chloromethyl)pyrrolidin-1-yl]-cyclopropylmethanone?
The InChIKey is YGQOQQBSOGNFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO/c10-5-7-3-4-11(6-7)9(12)8-1-2-8/h7-8H,1-6H2.
What are the key properties of [3-(chloromethyl)pyrrolidin-1-yl]-cyclopropylmethanone?
[3-(chloromethyl)pyrrolidin-1-yl]-cyclopropylmethanone has a molecular weight of 187.67 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(chloromethyl)pyrrolidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 63395652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).