1-methyl-3-(2-methylprop-2-enyl)-2-phenylpyrrolidin-3-ol

C15H21NO — CID 20651472

IUPAC1-methyl-3-(2-methylprop-2-enyl)-2-phenylpyrrolidin-3-ol
SMILESC=C(C)CC1(O)CCN(C)C1c1ccccc1
InChIInChI=1S/C15H21NO/c1-12(2)11-15(17)9-10-16(3)14(15)13-7-5-4-6-8-13/h4-8,14,17H,1,9-11H2,2-3H3
InChIKeyGDWGVSODNYBFKZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.76
Rot. Bonds3

About 1-methyl-3-(2-methylprop-2-enyl)-2-phenylpyrrolidin-3-ol

1-methyl-3-(2-methylprop-2-enyl)-2-phenylpyrrolidin-3-ol (PubChem CID 20651472) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-methyl-3-(2-methylprop-2-enyl)-2-phenylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-methyl-3-(2-methylprop-2-enyl)-2-phenylpyrrolidin-3-ol
PubChem CID20651472
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-methyl-3-(2-methylprop-2-enyl)-2-phenylpyrrolidin-3-ol
SMILESC=C(C)CC1(O)CCN(C)C1c1ccccc1
InChIInChI=1S/C15H21NO/c1-12(2)11-15(17)9-10-16(3)14(15)13-7-5-4-6-8-13/h4-8,14,17H,1,9-11H2,2-3H3
InChIKeyGDWGVSODNYBFKZ-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.76
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

ethane;1-methyl-3-[2-(phenoxymethyl)prop-2-enyl]-2-phenylpyrrolidin-3-ol
CID 90994199
ethane;(2S,3R)-3-[(Z)-3-hydroxyprop-1-enyl]-1-methyl-2-phenylpyrrolidin-3-ol
CID 90765907
1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid
CID 21149890
9-methyl-10-phenyl-1-oxa-9-azaspiro[4.5]decan-3-ol
CID 59972230
ethane;9-methyl-10-phenyl-1-oxa-9-azaspiro[4.5]decan-3-one
CID 91534609
(2R,3S,4R,6S)-3-ethyl-4-(2-methylprop-2-enyl)-2,6-diphenylpiperidin-1-ium-4-ol
CID 7232625
CID 59954366
CID 59954366
3,9-dimethyl-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene
CID 23560828
(5S,6R)-7-methyl-6-phenyl-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 124527239
5-methyl-4-phenyl-5-azaspiro[2.5]octan-8-one
CID 11401645
4-hydroxy-1,3-dimethyl-2-phenylpiperidine-4-carbonitrile
CID 608965
(3R)-1,2,2-trimethyl-3-phenylaziridine
CID 99770138

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylprop-2-enyl)-2-phenylpyrrolidin-3-ol?
The IUPAC name of 1-methyl-3-(2-methylprop-2-enyl)-2-phenylpyrrolidin-3-ol (CID 20651472) is 1-methyl-3-(2-methylprop-2-enyl)-2-phenylpyrrolidin-3-ol.
What is the SMILES notation for 1-methyl-3-(2-methylprop-2-enyl)-2-phenylpyrrolidin-3-ol?
The canonical SMILES for 1-methyl-3-(2-methylprop-2-enyl)-2-phenylpyrrolidin-3-ol is C=C(C)CC1(O)CCN(C)C1c1ccccc1.
What is the InChIKey of 1-methyl-3-(2-methylprop-2-enyl)-2-phenylpyrrolidin-3-ol?
The InChIKey is GDWGVSODNYBFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12(2)11-15(17)9-10-16(3)14(15)13-7-5-4-6-8-13/h4-8,14,17H,1,9-11H2,2-3H3.
What are the key properties of 1-methyl-3-(2-methylprop-2-enyl)-2-phenylpyrrolidin-3-ol?
1-methyl-3-(2-methylprop-2-enyl)-2-phenylpyrrolidin-3-ol has a molecular weight of 231.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylprop-2-enyl)-2-phenylpyrrolidin-3-ol is sourced from PubChem (CID 20651472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).