[3-(chloromethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol

C9H18ClNO — CID 167340283

IUPAC[3-(chloromethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol
SMILESCC(C)N1CCC(CO)(CCl)C1
InChIInChI=1S/C9H18ClNO/c1-8(2)11-4-3-9(5-10,6-11)7-12/h8,12H,3-7H2,1-2H3
InChIKeyKZNFPCNZKNKVJG-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.32
Rot. Bonds3

About [3-(chloromethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol

[3-(chloromethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol (PubChem CID 167340283) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is [3-(chloromethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(chloromethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol
PubChem CID167340283
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name[3-(chloromethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol
SMILESCC(C)N1CCC(CO)(CCl)C1
InChIInChI=1S/C9H18ClNO/c1-8(2)11-4-3-9(5-10,6-11)7-12/h8,12H,3-7H2,1-2H3
InChIKeyKZNFPCNZKNKVJG-UHFFFAOYSA-N
XLogP1.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.32
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-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-ol
CID 82713423
(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol
CID 83914161
[4-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-yl]methanol
CID 58547558
1,3-di(propan-2-yl)pyrrolidin-3-ol
CID 171831461
3-(2-methylpropyl)-1-propan-2-yl-3-propylpyrrolidine
CID 174258805
3-ethyl-3-(methoxymethyl)-1-propan-2-ylpyrrolidine
CID 134242781
[1-(chloromethyl)cyclopropyl]methanol
CID 12920386
ethane;(3-fluoro-1-propan-2-ylazetidin-3-yl)methanol
CID 168906490
2-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]ethanol
CID 83908354
3-(2-aminoethyl)-1-propan-2-ylpyrrolidin-3-ol
CID 82503311
3-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]butan-2-ol
CID 131175976
1-propan-2-yl-4-(propan-2-yloxymethyl)piperidin-4-ol
CID 79567229

Frequently Asked Questions

What is the IUPAC name of [3-(chloromethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol?
The IUPAC name of [3-(chloromethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol (CID 167340283) is [3-(chloromethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-(chloromethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol?
The canonical SMILES for [3-(chloromethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol is CC(C)N1CCC(CO)(CCl)C1.
What is the InChIKey of [3-(chloromethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol?
The InChIKey is KZNFPCNZKNKVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-8(2)11-4-3-9(5-10,6-11)7-12/h8,12H,3-7H2,1-2H3.
What are the key properties of [3-(chloromethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol?
[3-(chloromethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol has a molecular weight of 191.70 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(chloromethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 167340283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).