(2-butyl-1-methyl-4-methylidenepyrrolidin-2-yl)methanol

C11H21NO — CID 164922029

IUPAC(2-butyl-1-methyl-4-methylidenepyrrolidin-2-yl)methanol
SMILESC=C1CN(C)C(CO)(CCCC)C1
InChIInChI=1S/C11H21NO/c1-4-5-6-11(9-13)7-10(2)8-12(11)3/h13H,2,4-9H2,1,3H3
InChIKeyGJHUTMLROMOPPN-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds4

About (2-butyl-1-methyl-4-methylidenepyrrolidin-2-yl)methanol

(2-butyl-1-methyl-4-methylidenepyrrolidin-2-yl)methanol (PubChem CID 164922029) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2-butyl-1-methyl-4-methylidenepyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(2-butyl-1-methyl-4-methylidenepyrrolidin-2-yl)methanol
PubChem CID164922029
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2-butyl-1-methyl-4-methylidenepyrrolidin-2-yl)methanol
SMILESC=C1CN(C)C(CO)(CCCC)C1
InChIInChI=1S/C11H21NO/c1-4-5-6-11(9-13)7-10(2)8-12(11)3/h13H,2,4-9H2,1,3H3
InChIKeyGJHUTMLROMOPPN-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
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

(6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
CID 123968379
[(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol
CID 164922426
[(2S,3R,8R)-2-fluoro-3-methyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 169560075
[(3R,8R)-2-fluoro-3-methyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 169560146
(2-fluoro-3-methyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
CID 169560153
[(2R,3R,8R)-2-fluoro-3-methyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 171614158
[(2R)-2-fluoro-3-methyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 174321404
[4-(Difluoromethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol
CID 176919552
[(2R)-1-(2,2-dimethylpropyl)-2-prop-2-enylpyrrolidin-2-yl]methanol
CID 135037345
[(2S,4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidin-2-yl]methanol
CID 177009223
[(2S,4Z)-4-(fluoromethylidene)-1,2-dimethylpyrrolidin-2-yl]methanol
CID 177010221
[1,2-Bis(prop-2-enyl)pyrrolidin-2-yl]methanol
CID 69527569

Frequently Asked Questions

What is the IUPAC name of (2-butyl-1-methyl-4-methylidenepyrrolidin-2-yl)methanol?
The IUPAC name of (2-butyl-1-methyl-4-methylidenepyrrolidin-2-yl)methanol (CID 164922029) is (2-butyl-1-methyl-4-methylidenepyrrolidin-2-yl)methanol.
What is the SMILES notation for (2-butyl-1-methyl-4-methylidenepyrrolidin-2-yl)methanol?
The canonical SMILES for (2-butyl-1-methyl-4-methylidenepyrrolidin-2-yl)methanol is C=C1CN(C)C(CO)(CCCC)C1.
What is the InChIKey of (2-butyl-1-methyl-4-methylidenepyrrolidin-2-yl)methanol?
The InChIKey is GJHUTMLROMOPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-5-6-11(9-13)7-10(2)8-12(11)3/h13H,2,4-9H2,1,3H3.
What are the key properties of (2-butyl-1-methyl-4-methylidenepyrrolidin-2-yl)methanol?
(2-butyl-1-methyl-4-methylidenepyrrolidin-2-yl)methanol has a molecular weight of 183.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-1-methyl-4-methylidenepyrrolidin-2-yl)methanol is sourced from PubChem (CID 164922029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).