(Z)-3-(1-ethylpyrrolidin-2-yl)prop-2-en-1-ol

C9H17NO — CID 117266009

IUPAC(Z)-3-(1-ethylpyrrolidin-2-yl)prop-2-en-1-ol
SMILESCCN1CCCC1/C=C\CO
InChIInChI=1S/C9H17NO/c1-2-10-7-3-5-9(10)6-4-8-11/h4,6,9,11H,2-3,5,7-8H2,1H3/b6-4-
InChIKeyWZMIKGMPUHPTRJ-XQRVVYSFSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds3

About (Z)-3-(1-ethylpyrrolidin-2-yl)prop-2-en-1-ol

(Z)-3-(1-ethylpyrrolidin-2-yl)prop-2-en-1-ol (PubChem CID 117266009) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (Z)-3-(1-ethylpyrrolidin-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-(1-ethylpyrrolidin-2-yl)prop-2-en-1-ol
PubChem CID117266009
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(Z)-3-(1-ethylpyrrolidin-2-yl)prop-2-en-1-ol
SMILESCCN1CCCC1/C=C\CO
InChIInChI=1S/C9H17NO/c1-2-10-7-3-5-9(10)6-4-8-11/h4,6,9,11H,2-3,5,7-8H2,1H3/b6-4-
InChIKeyWZMIKGMPUHPTRJ-XQRVVYSFSA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.02
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

(E)-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-en-1-ol
CID 15480743
(R)-3-Hydroxy-1-(N-methylpyrrolidin-2-yl)propene
CID 53698862
3,7-Dimethyl-10-[methyl(prop-2-enyl)amino]deca-2,6-dien-1-ol
CID 53797884
3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]prop-2-en-1-ol
CID 53897969
7-[[Di(propan-2-yl)amino]methyl]-3,11-dimethyldodeca-2,6,10-trien-1-ol
CID 54348231
2-(3-Methoxyprop-1-enyl)-1-methylpyrrolidine
CID 57853788
(2R)-2-[(E)-3-hydroxyprop-1-enyl]pyrrolidine-1-carboxylic acid
CID 69317590
(2R)-2-(3-hydroxyprop-1-enyl)pyrrolidine-1-carboxylic acid
CID 69317593
3-(1-Methylpyrrolidin-2-yl)prop-2-en-1-ol
CID 70146895
2-(3-Hydroxyprop-1-enyl)pyrrolidine-1-carboxylic acid
CID 77637671
(2E,6E)-3,7-dimethyl-10-[methyl(prop-2-enyl)amino]deca-2,6-dien-1-ol
CID 88185339
(2E,6Z)-7-[[di(propan-2-yl)amino]methyl]-3,11-dimethyldodeca-2,6,10-trien-1-ol
CID 88779302

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1-ethylpyrrolidin-2-yl)prop-2-en-1-ol?
The IUPAC name of (Z)-3-(1-ethylpyrrolidin-2-yl)prop-2-en-1-ol (CID 117266009) is (Z)-3-(1-ethylpyrrolidin-2-yl)prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-(1-ethylpyrrolidin-2-yl)prop-2-en-1-ol?
The canonical SMILES for (Z)-3-(1-ethylpyrrolidin-2-yl)prop-2-en-1-ol is CCN1CCCC1/C=C\CO.
What is the InChIKey of (Z)-3-(1-ethylpyrrolidin-2-yl)prop-2-en-1-ol?
The InChIKey is WZMIKGMPUHPTRJ-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-10-7-3-5-9(10)6-4-8-11/h4,6,9,11H,2-3,5,7-8H2,1H3/b6-4-.
What are the key properties of (Z)-3-(1-ethylpyrrolidin-2-yl)prop-2-en-1-ol?
(Z)-3-(1-ethylpyrrolidin-2-yl)prop-2-en-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-ethylpyrrolidin-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 117266009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).