[1-methyl-2-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol

C10H19NO — CID 164922682

IUPAC[1-methyl-2-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol
SMILESC=C(C)CC1(CO)CCCN1C
InChIInChI=1S/C10H19NO/c1-9(2)7-10(8-12)5-4-6-11(10)3/h12H,1,4-8H2,2-3H3
InChIKeyKWQPUMNJLQCZMZ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds3

About [1-methyl-2-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol

[1-methyl-2-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol (PubChem CID 164922682) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is [1-methyl-2-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-methyl-2-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol
PubChem CID164922682
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name[1-methyl-2-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol
SMILESC=C(C)CC1(CO)CCCN1C
InChIInChI=1S/C10H19NO/c1-9(2)7-10(8-12)5-4-6-11(10)3/h12H,1,4-8H2,2-3H3
InChIKeyKWQPUMNJLQCZMZ-UHFFFAOYSA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
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

[(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol
CID 164922426
(2S,4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methyl-2-propylpyrrolidine
CID 172380414
[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
[4-(Difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol
CID 170772085
(4Z)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methyl-2-propylpyrrolidine
CID 172380398
[(2S)-4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol
CID 176664375
[(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
(1-Methyl-2-propylpyrrolidin-2-yl)methanol
CID 86775318
[(2S)-1-methyl-2-propylpyrrolidin-2-yl]methanol
CID 97805021

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-methyl-2-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol (CID 164922682) is [1-methyl-2-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-methyl-2-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-methyl-2-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol is C=C(C)CC1(CO)CCCN1C.
What is the InChIKey of [1-methyl-2-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol?
The InChIKey is KWQPUMNJLQCZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)7-10(8-12)5-4-6-11(10)3/h12H,1,4-8H2,2-3H3.
What are the key properties of [1-methyl-2-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol?
[1-methyl-2-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol has a molecular weight of 169.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 164922682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).