2,3-dimethyl-1-pyrrolidin-2-ylbut-3-en-2-ol

C10H19NO — CID 130921026

IUPAC2,3-dimethyl-1-pyrrolidin-2-ylbut-3-en-2-ol
SMILESC=C(C)C(C)(O)CC1CCCN1
InChIInChI=1S/C10H19NO/c1-8(2)10(3,12)7-9-5-4-6-11-9/h9,11-12H,1,4-7H2,2-3H3
InChIKeyOLOQJOJEDKYCFG-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.46
Rot. Bonds3

About 2,3-dimethyl-1-pyrrolidin-2-ylbut-3-en-2-ol

2,3-dimethyl-1-pyrrolidin-2-ylbut-3-en-2-ol (PubChem CID 130921026) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2,3-dimethyl-1-pyrrolidin-2-ylbut-3-en-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-pyrrolidin-2-ylbut-3-en-2-ol
PubChem CID130921026
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2,3-dimethyl-1-pyrrolidin-2-ylbut-3-en-2-ol
SMILESC=C(C)C(C)(O)CC1CCCN1
InChIInChI=1S/C10H19NO/c1-8(2)10(3,12)7-9-5-4-6-11-9/h9,11-12H,1,4-7H2,2-3H3
InChIKeyOLOQJOJEDKYCFG-UHFFFAOYSA-N
XLogP1.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(Butylamino)prop-1-en-2-yl]cyclohexan-1-ol
CID 10420692
3-Prop-1-en-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 79190119
(1R)-1-(cyclopenten-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 138485613
1-(cyclopenten-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 155141463
4-(Ethylamino)-1-prop-1-en-2-ylcyclohexan-1-ol
CID 79177544
1-Prop-1-en-2-yl-4-(propylamino)cyclohexan-1-ol
CID 79177773
3-(2-Methylprop-1-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 79190226
2-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]propan-2-ol
CID 101613765
2-(Cyclohexen-1-yl)-4-(propan-2-ylamino)butan-2-ol
CID 106654915
2-(Cyclohepten-1-yl)-4-(propan-2-ylamino)butan-2-ol
CID 106654916
2-(Cycloocten-1-yl)-4-(propan-2-ylamino)butan-2-ol
CID 106654917
2,3-Dimethyl-1-piperidin-2-ylbut-3-en-2-ol
CID 116009400

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-pyrrolidin-2-ylbut-3-en-2-ol?
The IUPAC name of 2,3-dimethyl-1-pyrrolidin-2-ylbut-3-en-2-ol (CID 130921026) is 2,3-dimethyl-1-pyrrolidin-2-ylbut-3-en-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-pyrrolidin-2-ylbut-3-en-2-ol?
The canonical SMILES for 2,3-dimethyl-1-pyrrolidin-2-ylbut-3-en-2-ol is C=C(C)C(C)(O)CC1CCCN1.
What is the InChIKey of 2,3-dimethyl-1-pyrrolidin-2-ylbut-3-en-2-ol?
The InChIKey is OLOQJOJEDKYCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)10(3,12)7-9-5-4-6-11-9/h9,11-12H,1,4-7H2,2-3H3.
What are the key properties of 2,3-dimethyl-1-pyrrolidin-2-ylbut-3-en-2-ol?
2,3-dimethyl-1-pyrrolidin-2-ylbut-3-en-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-pyrrolidin-2-ylbut-3-en-2-ol is sourced from PubChem (CID 130921026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).