[1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol;propane

C13H27NO — CID 166533151

IUPAC[1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol;propane
SMILESCCC.C[C@H]1CCCN1CC1(CO)CC1
InChIInChI=1S/C10H19NO.C3H8/c1-9-3-2-6-11(9)7-10(8-12)4-5-10;1-3-2/h9,12H,2-8H2,1H3;3H2,1-2H3/t9-;/m0./s1
InChIKeyHSQQCFHGIHDLJZ-FVGYRXGTSA-N
MW213.36 g/mol
LogP2.66
Rot. Bonds3

About [1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol;propane

[1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol;propane (PubChem CID 166533151) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is [1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol;propane.

Molecular Properties

Compound Name[1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol;propane
PubChem CID166533151
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name[1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol;propane
SMILESCCC.C[C@H]1CCCN1CC1(CO)CC1
InChIInChI=1S/C10H19NO.C3H8/c1-9-3-2-6-11(9)7-10(8-12)4-5-10;1-3-2/h9,12H,2-8H2,1H3;3H2,1-2H3/t9-;/m0./s1
InChIKeyHSQQCFHGIHDLJZ-FVGYRXGTSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Isopropylpyrrolidin-3-yl)methanol
CID 16641305
(1-Cyclopropylpyrrolidin-3-yl)methanol
CID 24275425
(1-((Pyrrolidin-1-yl)methyl)cyclopropyl)methanol
CID 66854227
[1-[[(3R)-3-Fluoropyrrolidin-1-YL]methyl]cyclopropyl]methanol
CID 155348589
(1-((3-Fluoropyrrolidin-1-YL)methyl)cyclopropyl)methanol
CID 162341985
[1-[[(3S)-3-Fluoropyrrolidin-1-YL]methyl]cyclopropyl]methanol
CID 162341986
[1-[(1-Fluorocyclopropyl)methyl]-2-methylpyrrolidin-3-yl]methanol
CID 130634879
[3-Fluoro-1-[(1-methylcyclopropyl)methyl]pyrrolidin-3-yl]methanol
CID 130693423
[2-(3-Fluoro-3-methylpyrrolidin-1-yl)cyclopropyl]methanol
CID 130918168
[3-Fluoro-1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-yl]methanol
CID 131084370
1-Cyclopropylmethyl 2-[2-hydroxyethyl]pyrrolidine
CID 13647236
3-(5-Azaspiro[2.4]heptan-5-yl)propan-1-ol
CID 16736944

Frequently Asked Questions

What is the IUPAC name of [1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol;propane?
The IUPAC name of [1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol;propane (CID 166533151) is [1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol;propane.
What is the SMILES notation for [1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol;propane?
The canonical SMILES for [1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol;propane is CCC.C[C@H]1CCCN1CC1(CO)CC1.
What is the InChIKey of [1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol;propane?
The InChIKey is HSQQCFHGIHDLJZ-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H19NO.C3H8/c1-9-3-2-6-11(9)7-10(8-12)4-5-10;1-3-2/h9,12H,2-8H2,1H3;3H2,1-2H3/t9-;/m0./s1.
What are the key properties of [1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol;propane?
[1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol;propane has a molecular weight of 213.36 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol;propane is sourced from PubChem (CID 166533151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).