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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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).