[(2S)-2-ethyl-1-methyl-4-methylidenepyrrolidin-2-yl]methanol

C9H17NO — CID 177010251

IUPAC[(2S)-2-ethyl-1-methyl-4-methylidenepyrrolidin-2-yl]methanol
SMILESC=C1CN(C)[C@](CC)(CO)C1
InChIInChI=1S/C9H17NO/c1-4-9(7-11)5-8(2)6-10(9)3/h11H,2,4-7H2,1,3H3/t9-/m0/s1
InChIKeyCPIXLULWBYVPQR-VIFPVBQESA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds2

About [(2S)-2-ethyl-1-methyl-4-methylidenepyrrolidin-2-yl]methanol

[(2S)-2-ethyl-1-methyl-4-methylidenepyrrolidin-2-yl]methanol (PubChem CID 177010251) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is [(2S)-2-ethyl-1-methyl-4-methylidenepyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-2-ethyl-1-methyl-4-methylidenepyrrolidin-2-yl]methanol
PubChem CID177010251
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name[(2S)-2-ethyl-1-methyl-4-methylidenepyrrolidin-2-yl]methanol
SMILESC=C1CN(C)[C@](CC)(CO)C1
InChIInChI=1S/C9H17NO/c1-4-9(7-11)5-8(2)6-10(9)3/h11H,2,4-7H2,1,3H3/t9-/m0/s1
InChIKeyCPIXLULWBYVPQR-VIFPVBQESA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

[(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)-1,2-dimethylpyrrolidin-2-yl]methanol
CID 176294879
[4-(Difluoromethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol
CID 176919552
[(2S)-4-(difluoromethylidene)-1-ethyl-2-methylpyrrolidin-2-yl]methanol
CID 176919665
[(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

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-ethyl-1-methyl-4-methylidenepyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-2-ethyl-1-methyl-4-methylidenepyrrolidin-2-yl]methanol (CID 177010251) is [(2S)-2-ethyl-1-methyl-4-methylidenepyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-2-ethyl-1-methyl-4-methylidenepyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-2-ethyl-1-methyl-4-methylidenepyrrolidin-2-yl]methanol is C=C1CN(C)[C@](CC)(CO)C1.
What is the InChIKey of [(2S)-2-ethyl-1-methyl-4-methylidenepyrrolidin-2-yl]methanol?
The InChIKey is CPIXLULWBYVPQR-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO/c1-4-9(7-11)5-8(2)6-10(9)3/h11H,2,4-7H2,1,3H3/t9-/m0/s1.
What are the key properties of [(2S)-2-ethyl-1-methyl-4-methylidenepyrrolidin-2-yl]methanol?
[(2S)-2-ethyl-1-methyl-4-methylidenepyrrolidin-2-yl]methanol has a molecular weight of 155.24 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-ethyl-1-methyl-4-methylidenepyrrolidin-2-yl]methanol is sourced from PubChem (CID 177010251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).