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

C12H25NO — CID 169181401

IUPACethane;[1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol
SMILESCC.C[C@H]1CCCN1CC1(CO)CC1
InChIInChI=1S/C10H19NO.C2H6/c1-9-3-2-6-11(9)7-10(8-12)4-5-10;1-2/h9,12H,2-8H2,1H3;1-2H3/t9-;/m0./s1
InChIKeyMSTUPCJPIGVEMU-FVGYRXGTSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds3

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

ethane;[1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol (PubChem CID 169181401) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is ethane;[1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Nameethane;[1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol
PubChem CID169181401
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nameethane;[1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol
SMILESCC.C[C@H]1CCCN1CC1(CO)CC1
InChIInChI=1S/C10H19NO.C2H6/c1-9-3-2-6-11(9)7-10(8-12)4-5-10;1-2/h9,12H,2-8H2,1H3;1-2H3/t9-;/m0./s1
InChIKeyMSTUPCJPIGVEMU-FVGYRXGTSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.27
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 ethane;[1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol?
The IUPAC name of ethane;[1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol (CID 169181401) is ethane;[1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol.
What is the SMILES notation for ethane;[1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol?
The canonical SMILES for ethane;[1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol is CC.C[C@H]1CCCN1CC1(CO)CC1.
What is the InChIKey of ethane;[1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol?
The InChIKey is MSTUPCJPIGVEMU-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H19NO.C2H6/c1-9-3-2-6-11(9)7-10(8-12)4-5-10;1-2/h9,12H,2-8H2,1H3;1-2H3/t9-;/m0./s1.
What are the key properties of ethane;[1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol?
ethane;[1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methanol is sourced from PubChem (CID 169181401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).