1-[1-(2-methylidenebutyl)pyrrolidin-3-yl]ethanol

C11H21NO — CID 112628387

IUPAC1-[1-(2-methylidenebutyl)pyrrolidin-3-yl]ethanol
SMILESC=C(CC)CN1CCC(C(C)O)C1
InChIInChI=1S/C11H21NO/c1-4-9(2)7-12-6-5-11(8-12)10(3)13/h10-11,13H,2,4-8H2,1,3H3
InChIKeyWHSWDCAYVJRWAB-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.66
Rot. Bonds4

About 1-[1-(2-methylidenebutyl)pyrrolidin-3-yl]ethanol

1-[1-(2-methylidenebutyl)pyrrolidin-3-yl]ethanol (PubChem CID 112628387) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-[1-(2-methylidenebutyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-methylidenebutyl)pyrrolidin-3-yl]ethanol
PubChem CID112628387
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-[1-(2-methylidenebutyl)pyrrolidin-3-yl]ethanol
SMILESC=C(CC)CN1CCC(C(C)O)C1
InChIInChI=1S/C11H21NO/c1-4-9(2)7-12-6-5-11(8-12)10(3)13/h10-11,13H,2,4-8H2,1,3H3
InChIKeyWHSWDCAYVJRWAB-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylidenebutyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(2-methylidenebutyl)pyrrolidin-3-yl]ethanol (CID 112628387) is 1-[1-(2-methylidenebutyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(2-methylidenebutyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(2-methylidenebutyl)pyrrolidin-3-yl]ethanol is C=C(CC)CN1CCC(C(C)O)C1.
What is the InChIKey of 1-[1-(2-methylidenebutyl)pyrrolidin-3-yl]ethanol?
The InChIKey is WHSWDCAYVJRWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-9(2)7-12-6-5-11(8-12)10(3)13/h10-11,13H,2,4-8H2,1,3H3.
What are the key properties of 1-[1-(2-methylidenebutyl)pyrrolidin-3-yl]ethanol?
1-[1-(2-methylidenebutyl)pyrrolidin-3-yl]ethanol has a molecular weight of 183.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylidenebutyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112628387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).