acetylene;ethane;1-pyrrolidin-2-ylprop-2-en-1-ol

C11H21NO — CID 142546446

IUPACacetylene;ethane;1-pyrrolidin-2-ylprop-2-en-1-ol
SMILESC#C.C=CC(O)C1CCCN1.CC
InChIInChI=1S/C7H13NO.C2H6.C2H2/c1-2-7(9)6-4-3-5-8-6;2*1-2/h2,6-9H,1,3-5H2;1-2H3;1-2H
InChIKeyWPNFYMXYKLRLQZ-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.56
Rot. Bonds2

About acetylene;ethane;1-pyrrolidin-2-ylprop-2-en-1-ol

acetylene;ethane;1-pyrrolidin-2-ylprop-2-en-1-ol (PubChem CID 142546446) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is acetylene;ethane;1-pyrrolidin-2-ylprop-2-en-1-ol.

Molecular Properties

Compound Nameacetylene;ethane;1-pyrrolidin-2-ylprop-2-en-1-ol
PubChem CID142546446
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Nameacetylene;ethane;1-pyrrolidin-2-ylprop-2-en-1-ol
SMILESC#C.C=CC(O)C1CCCN1.CC
InChIInChI=1S/C7H13NO.C2H6.C2H2/c1-2-7(9)6-4-3-5-8-6;2*1-2/h2,6-9H,1,3-5H2;1-2H3;1-2H
InChIKeyWPNFYMXYKLRLQZ-UHFFFAOYSA-N
XLogP1.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze acetylene;ethane;1-pyrrolidin-2-ylprop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Iruleixilfztee-jgvffnpusa-
CID 11355528
(1R)-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-ol
CID 55286758
(3R,5R)-5-prop-2-enylpyrrolidin-3-ol
CID 96005172
(1R)-1-pyrrolidin-2-ylprop-2-en-1-ol
CID 142507396
1-[(2S)-4-ethenylpyrrolidin-2-yl]propan-1-ol
CID 144046776
(1S)-1-pyrrolidin-2-ylbut-3-en-1-ol
CID 173161895
5-Prop-2-enylpyrrolidin-3-ol
CID 12791695
1-Pyrrolidin-2-ylprop-2-en-1-ol
CID 13283827
(1R)-1-[(2R)-pyrrolidin-2-yl]prop-2-en-1-ol
CID 46218353
1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-ol
CID 55299122
(3R,5S)-5-prop-2-enylpyrrolidin-3-ol
CID 55300778
(5R)-5-prop-2-enylpyrrolidin-3-ol
CID 55303246

Frequently Asked Questions

What is the IUPAC name of acetylene;ethane;1-pyrrolidin-2-ylprop-2-en-1-ol?
The IUPAC name of acetylene;ethane;1-pyrrolidin-2-ylprop-2-en-1-ol (CID 142546446) is acetylene;ethane;1-pyrrolidin-2-ylprop-2-en-1-ol.
What is the SMILES notation for acetylene;ethane;1-pyrrolidin-2-ylprop-2-en-1-ol?
The canonical SMILES for acetylene;ethane;1-pyrrolidin-2-ylprop-2-en-1-ol is C#C.C=CC(O)C1CCCN1.CC.
What is the InChIKey of acetylene;ethane;1-pyrrolidin-2-ylprop-2-en-1-ol?
The InChIKey is WPNFYMXYKLRLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2H6.C2H2/c1-2-7(9)6-4-3-5-8-6;2*1-2/h2,6-9H,1,3-5H2;1-2H3;1-2H.
What are the key properties of acetylene;ethane;1-pyrrolidin-2-ylprop-2-en-1-ol?
acetylene;ethane;1-pyrrolidin-2-ylprop-2-en-1-ol has a molecular weight of 183.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethane;1-pyrrolidin-2-ylprop-2-en-1-ol is sourced from PubChem (CID 142546446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).