1-(4-methyl-5-prop-2-enylpyrrolidin-2-yl)ethanol

C10H19NO — CID 144653686

IUPAC1-(4-methyl-5-prop-2-enylpyrrolidin-2-yl)ethanol
SMILESC=CCC1NC(C(C)O)CC1C
InChIInChI=1S/C10H19NO/c1-4-5-9-7(2)6-10(11-9)8(3)12/h4,7-12H,1,5-6H2,2-3H3
InChIKeyZOCISBRPMLTMEQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.31
Rot. Bonds3

About 1-(4-methyl-5-prop-2-enylpyrrolidin-2-yl)ethanol

1-(4-methyl-5-prop-2-enylpyrrolidin-2-yl)ethanol (PubChem CID 144653686) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(4-methyl-5-prop-2-enylpyrrolidin-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-methyl-5-prop-2-enylpyrrolidin-2-yl)ethanol
PubChem CID144653686
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(4-methyl-5-prop-2-enylpyrrolidin-2-yl)ethanol
SMILESC=CCC1NC(C(C)O)CC1C
InChIInChI=1S/C10H19NO/c1-4-5-9-7(2)6-10(11-9)8(3)12/h4,7-12H,1,5-6H2,2-3H3
InChIKeyZOCISBRPMLTMEQ-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
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

[4-Fluoro-5-methyl-2-(2-methylidenebutyl)pyrrolidin-2-yl]methanol
CID 169560364
(1R)-1-[(2S,5R)-5-(hydroxymethyl)pyrrolidin-2-yl]pent-4-en-1-ol
CID 134855574
[(2S,4R)-4-prop-2-enylpyrrolidin-2-yl]methanol
CID 55287065
[(2S,4S)-4-cyclohex-2-en-1-ylpyrrolidin-2-yl]methanol
CID 56618141
(3S,4S)-5-cyclohexyl-4-(propan-2-ylamino)pent-1-en-3-ol
CID 57918983
5-Cyclohexyl-4-(propan-2-ylamino)pent-1-en-3-ol
CID 57918995
[(2S)-4-cyclohex-2-en-1-ylpyrrolidin-2-yl]methanol
CID 70072919
(1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol
CID 70227186
(6-methyl-2,3,3a,6,7,7a-hexahydro-1H-indol-2-yl)methanol
CID 89219129
1-(7-Azabicyclo[2.2.1]hept-2-en-1-yl)propan-1-ol
CID 89811998
(R)-(4,4-diallylpyrrolidin-2-yl)methanol
CID 118343076
[4,4-Bis(prop-2-enyl)pyrrolidin-2-yl]methanol
CID 118343079

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-5-prop-2-enylpyrrolidin-2-yl)ethanol?
The IUPAC name of 1-(4-methyl-5-prop-2-enylpyrrolidin-2-yl)ethanol (CID 144653686) is 1-(4-methyl-5-prop-2-enylpyrrolidin-2-yl)ethanol.
What is the SMILES notation for 1-(4-methyl-5-prop-2-enylpyrrolidin-2-yl)ethanol?
The canonical SMILES for 1-(4-methyl-5-prop-2-enylpyrrolidin-2-yl)ethanol is C=CCC1NC(C(C)O)CC1C.
What is the InChIKey of 1-(4-methyl-5-prop-2-enylpyrrolidin-2-yl)ethanol?
The InChIKey is ZOCISBRPMLTMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-9-7(2)6-10(11-9)8(3)12/h4,7-12H,1,5-6H2,2-3H3.
What are the key properties of 1-(4-methyl-5-prop-2-enylpyrrolidin-2-yl)ethanol?
1-(4-methyl-5-prop-2-enylpyrrolidin-2-yl)ethanol has a molecular weight of 169.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-5-prop-2-enylpyrrolidin-2-yl)ethanol is sourced from PubChem (CID 144653686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).