(1-but-2-enylpyrrolidin-2-yl)methanol

C9H17NO — CID 76932279

IUPAC(1-but-2-enylpyrrolidin-2-yl)methanol
SMILESCC=CCN1CCCC1CO
InChIInChI=1S/C9H17NO/c1-2-3-6-10-7-4-5-9(10)8-11/h2-3,9,11H,4-8H2,1H3
InChIKeyJJGZREKPGMYQGB-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds3

About (1-but-2-enylpyrrolidin-2-yl)methanol

(1-but-2-enylpyrrolidin-2-yl)methanol (PubChem CID 76932279) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (1-but-2-enylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(1-but-2-enylpyrrolidin-2-yl)methanol
PubChem CID76932279
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(1-but-2-enylpyrrolidin-2-yl)methanol
SMILESCC=CCN1CCCC1CO
InChIInChI=1S/C9H17NO/c1-2-3-6-10-7-4-5-9(10)8-11/h2-3,9,11H,4-8H2,1H3
InChIKeyJJGZREKPGMYQGB-UHFFFAOYSA-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

[(2S)-1-[(E)-pent-2-enyl]pyrrolidin-2-yl]methanol
CID 102119727
1-(1-but-2-enylpyrrolidin-2-yl)propan-2-one
CID 79547073
(1-but-2-enylpiperidin-2-yl)methanamine
CID 76919198
2-[1-[(E)-but-2-enyl]piperidin-2-yl]acetic acid
CID 61009719
1-[(E)-but-2-enyl]-2-tert-butylpyrrolidine
CID 131247769
[1-(sulfanylmethyl)pyrrolidin-2-yl]methanol
CID 143677973
ethyl (E)-4-[2-(hydroxymethyl)pyrrolidin-1-yl]but-2-enoate
CID 80549696
N-[(1-but-2-enylpiperidin-2-yl)methyl]propan-2-amine
CID 77010204
ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 143249605
[1-[[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 111781111
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
ethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol
CID 164922093

Frequently Asked Questions

What is the IUPAC name of (1-but-2-enylpyrrolidin-2-yl)methanol?
The IUPAC name of (1-but-2-enylpyrrolidin-2-yl)methanol (CID 76932279) is (1-but-2-enylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (1-but-2-enylpyrrolidin-2-yl)methanol?
The canonical SMILES for (1-but-2-enylpyrrolidin-2-yl)methanol is CC=CCN1CCCC1CO.
What is the InChIKey of (1-but-2-enylpyrrolidin-2-yl)methanol?
The InChIKey is JJGZREKPGMYQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-6-10-7-4-5-9(10)8-11/h2-3,9,11H,4-8H2,1H3.
What are the key properties of (1-but-2-enylpyrrolidin-2-yl)methanol?
(1-but-2-enylpyrrolidin-2-yl)methanol 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 (1-but-2-enylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 76932279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).