[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]methanol

C9H18ClNO — CID 112628032

IUPAC[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]methanol
SMILESCC(CCl)CN1CCC(CO)C1
InChIInChI=1S/C9H18ClNO/c1-8(4-10)5-11-3-2-9(6-11)7-12/h8-9,12H,2-7H2,1H3
InChIKeyLNFFYHOWYBSXBI-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.18
Rot. Bonds4

About [1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]methanol

[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]methanol (PubChem CID 112628032) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is [1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]methanol
PubChem CID112628032
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]methanol
SMILESCC(CCl)CN1CCC(CO)C1
InChIInChI=1S/C9H18ClNO/c1-8(4-10)5-11-3-2-9(6-11)7-12/h8-9,12H,2-7H2,1H3
InChIKeyLNFFYHOWYBSXBI-UHFFFAOYSA-N
XLogP1.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.18
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

[1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol
CID 64867957
[1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanol
CID 83146581
1-[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 112628064
3-(chloromethyl)-1-(2-methylpentyl)pyrrolidine
CID 63388562
[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
CID 42258964
1-(3-chloro-2-methylpropyl)azetidin-3-ol
CID 131137639
[(3S)-1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-3-yl]methanol
CID 51980420
3-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-ol
CID 104881569
2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 83981105
2-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 112626151
[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanol
CID 112628033
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111442666

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]methanol (CID 112628032) is [1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]methanol is CC(CCl)CN1CCC(CO)C1.
What is the InChIKey of [1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]methanol?
The InChIKey is LNFFYHOWYBSXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-8(4-10)5-11-3-2-9(6-11)7-12/h8-9,12H,2-7H2,1H3.
What are the key properties of [1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]methanol?
[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]methanol has a molecular weight of 191.70 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112628032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).