3-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]propan-1-ol

C11H21NO — CID 62469223

IUPAC3-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]propan-1-ol
SMILESC=C(C)CN1CCCC1CCCO
InChIInChI=1S/C11H21NO/c1-10(2)9-12-7-3-5-11(12)6-4-8-13/h11,13H,1,3-9H2,2H3
InChIKeyLCAJJLFJWGCAFT-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds5

About 3-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]propan-1-ol

3-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 62469223) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID62469223
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]propan-1-ol
SMILESC=C(C)CN1CCCC1CCCO
InChIInChI=1S/C11H21NO/c1-10(2)9-12-7-3-5-11(12)6-4-8-13/h11,13H,1,3-9H2,2H3
InChIKeyLCAJJLFJWGCAFT-UHFFFAOYSA-N
XLogP1.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Pyrrolidinepropanol, 1-methyl-
CID 12261672
3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-ol
CID 124414451
3-(1-Hexylpyrrolidin-2-yl)propan-1-ol
CID 62466737
3-[1-(3-Methylbutyl)pyrrolidin-2-yl]propan-1-ol
CID 62466907
3-(1-Prop-2-enylpyrrolidin-2-yl)propan-1-ol
CID 62467270
3-[1-(2-Methylpropyl)pyrrolidin-2-yl]propan-1-ol
CID 62467612
3-(1-Propyl-pyrrolidin-2-yl)-propan-1-ol
CID 62467614
3-(1-Propan-2-ylpyrrolidin-2-yl)propan-1-ol
CID 62467615
3-(1-Ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
3-(1-Butyl-pyrrolidin-2-yl)-propan-1-ol
CID 62467785
3-(1-Heptylpyrrolidin-2-yl)propan-1-ol
CID 62467786
3-(1-Pentylpyrrolidin-2-yl)propan-1-ol
CID 62467787

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]propan-1-ol (CID 62469223) is 3-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]propan-1-ol is C=C(C)CN1CCCC1CCCO.
What is the InChIKey of 3-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is LCAJJLFJWGCAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)9-12-7-3-5-11(12)6-4-8-13/h11,13H,1,3-9H2,2H3.
What are the key properties of 3-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62469223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).