(Z)-4-(1-methylpyrrolidin-2-yl)but-2-en-1-ol

C9H17NO — CID 117266021

IUPAC(Z)-4-(1-methylpyrrolidin-2-yl)but-2-en-1-ol
SMILESCN1CCCC1C/C=C\CO
InChIInChI=1S/C9H17NO/c1-10-7-4-6-9(10)5-2-3-8-11/h2-3,9,11H,4-8H2,1H3/b3-2-
InChIKeyPSXWYWHANGGTHW-IHWYPQMZSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds3

About (Z)-4-(1-methylpyrrolidin-2-yl)but-2-en-1-ol

(Z)-4-(1-methylpyrrolidin-2-yl)but-2-en-1-ol (PubChem CID 117266021) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (Z)-4-(1-methylpyrrolidin-2-yl)but-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4-(1-methylpyrrolidin-2-yl)but-2-en-1-ol
PubChem CID117266021
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(Z)-4-(1-methylpyrrolidin-2-yl)but-2-en-1-ol
SMILESCN1CCCC1C/C=C\CO
InChIInChI=1S/C9H17NO/c1-10-7-4-6-9(10)5-2-3-8-11/h2-3,9,11H,4-8H2,1H3/b3-2-
InChIKeyPSXWYWHANGGTHW-IHWYPQMZSA-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-(1-Methylpyrrolidin-2-yl)prop-2-en-1-ol
CID 70146895
3,3-dimethyl-2,5,8,8a-tetrahydro-1H-indolizin-5-ol
CID 144718326
CID 162267242
CID 162267242
(E)-1-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-ol
CID 162375504
propane;(E,5S)-5-pyrrolidin-1-ylhex-3-en-2-ol
CID 177231035
2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]ethanol
CID 11084268
2-[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene]ethanol
CID 24801545
2-(8-Methyl-8-azabicyclo[3.2.1]octan-3-ylidene)ethanol
CID 85393217
(1Z)-1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-ol
CID 103971107
(1Z)-1-(1-cyclopropyl-5-methylpyrrolidin-3-ylidene)propan-2-ol
CID 116237148

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(1-methylpyrrolidin-2-yl)but-2-en-1-ol?
The IUPAC name of (Z)-4-(1-methylpyrrolidin-2-yl)but-2-en-1-ol (CID 117266021) is (Z)-4-(1-methylpyrrolidin-2-yl)but-2-en-1-ol.
What is the SMILES notation for (Z)-4-(1-methylpyrrolidin-2-yl)but-2-en-1-ol?
The canonical SMILES for (Z)-4-(1-methylpyrrolidin-2-yl)but-2-en-1-ol is CN1CCCC1C/C=C\CO.
What is the InChIKey of (Z)-4-(1-methylpyrrolidin-2-yl)but-2-en-1-ol?
The InChIKey is PSXWYWHANGGTHW-IHWYPQMZSA-N. The full InChI is InChI=1S/C9H17NO/c1-10-7-4-6-9(10)5-2-3-8-11/h2-3,9,11H,4-8H2,1H3/b3-2-.
What are the key properties of (Z)-4-(1-methylpyrrolidin-2-yl)but-2-en-1-ol?
(Z)-4-(1-methylpyrrolidin-2-yl)but-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)-4-(1-methylpyrrolidin-2-yl)but-2-en-1-ol is sourced from PubChem (CID 117266021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).