acetylene;[(2R)-1,2-dimethylpyrrolidin-2-yl]methanol

C9H17NO — CID 168910228

IUPACacetylene;[(2R)-1,2-dimethylpyrrolidin-2-yl]methanol
SMILESC#C.CN1CCC[C@]1(C)CO
InChIInChI=1S/C7H15NO.C2H2/c1-7(6-9)4-3-5-8(7)2;1-2/h9H,3-6H2,1-2H3;1-2H/t7-;/m1./s1
InChIKeyUJDLSQHESDLOJO-OGFXRTJISA-N
MW155.24 g/mol
LogP0.71
Rot. Bonds1

About acetylene;[(2R)-1,2-dimethylpyrrolidin-2-yl]methanol

acetylene;[(2R)-1,2-dimethylpyrrolidin-2-yl]methanol (PubChem CID 168910228) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is acetylene;[(2R)-1,2-dimethylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Nameacetylene;[(2R)-1,2-dimethylpyrrolidin-2-yl]methanol
PubChem CID168910228
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Nameacetylene;[(2R)-1,2-dimethylpyrrolidin-2-yl]methanol
SMILESC#C.CN1CCC[C@]1(C)CO
InChIInChI=1S/C7H15NO.C2H2/c1-7(6-9)4-3-5-8(7)2;1-2/h9H,3-6H2,1-2H3;1-2H/t7-;/m1./s1
InChIKeyUJDLSQHESDLOJO-OGFXRTJISA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1,2-dimethylpyrrolidin-2-yl]methanol
CID 141207857
2-(1,2-dimethylpyrrolidin-2-yl)acetonitrile
CID 130291955
2-(4-chlorobutyl)-1,2-dimethylpyrrolidine
CID 175557059
ethane;(1,2,4-trimethylpiperazin-2-yl)methanol
CID 177010134
1-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-2-ol
CID 169131307
ethane;(2-ethyl-1-methylpyrrolidin-2-yl)methanol
CID 170726282
[1-[4-[2-(hydroxymethyl)-2-methylpiperidin-1-yl]but-2-enyl]-2-methylpiperidin-2-yl]methanol
CID 126797391
(2S)-2-hydroxy-1-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]propan-1-one
CID 130736395
2-fluoro-1-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]prop-2-en-1-one
CID 146225291
1-methylpyrrolidine-2,2-dicarboxylic acid
CID 83669888
(4-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-yl)methanol
CID 105440804
[2-methyl-1-(2-methylpropyl)piperidin-2-yl]methanol
CID 127000302

Frequently Asked Questions

What is the IUPAC name of acetylene;[(2R)-1,2-dimethylpyrrolidin-2-yl]methanol?
The IUPAC name of acetylene;[(2R)-1,2-dimethylpyrrolidin-2-yl]methanol (CID 168910228) is acetylene;[(2R)-1,2-dimethylpyrrolidin-2-yl]methanol.
What is the SMILES notation for acetylene;[(2R)-1,2-dimethylpyrrolidin-2-yl]methanol?
The canonical SMILES for acetylene;[(2R)-1,2-dimethylpyrrolidin-2-yl]methanol is C#C.CN1CCC[C@]1(C)CO.
What is the InChIKey of acetylene;[(2R)-1,2-dimethylpyrrolidin-2-yl]methanol?
The InChIKey is UJDLSQHESDLOJO-OGFXRTJISA-N. The full InChI is InChI=1S/C7H15NO.C2H2/c1-7(6-9)4-3-5-8(7)2;1-2/h9H,3-6H2,1-2H3;1-2H/t7-;/m1./s1.
What are the key properties of acetylene;[(2R)-1,2-dimethylpyrrolidin-2-yl]methanol?
acetylene;[(2R)-1,2-dimethylpyrrolidin-2-yl]methanol has a molecular weight of 155.24 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;[(2R)-1,2-dimethylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 168910228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).