[(2S)-2-prop-1-en-2-yl-1-prop-2-enylpyrrolidin-2-yl]methanol

C11H19NO — CID 177095469

IUPAC[(2S)-2-prop-1-en-2-yl-1-prop-2-enylpyrrolidin-2-yl]methanol
SMILESC=CCN1CCC[C@@]1(CO)C(=C)C
InChIInChI=1S/C11H19NO/c1-4-7-12-8-5-6-11(12,9-13)10(2)3/h4,13H,1-2,5-9H2,3H3/t11-/m1/s1
InChIKeyNUGNTQQGMHGKFK-LLVKDONJSA-N
MW181.28 g/mol
LogP1.58
Rot. Bonds4

About [(2S)-2-prop-1-en-2-yl-1-prop-2-enylpyrrolidin-2-yl]methanol

[(2S)-2-prop-1-en-2-yl-1-prop-2-enylpyrrolidin-2-yl]methanol (PubChem CID 177095469) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is [(2S)-2-prop-1-en-2-yl-1-prop-2-enylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-2-prop-1-en-2-yl-1-prop-2-enylpyrrolidin-2-yl]methanol
PubChem CID177095469
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name[(2S)-2-prop-1-en-2-yl-1-prop-2-enylpyrrolidin-2-yl]methanol
SMILESC=CCN1CCC[C@@]1(CO)C(=C)C
InChIInChI=1S/C11H19NO/c1-4-7-12-8-5-6-11(12,9-13)10(2)3/h4,13H,1-2,5-9H2,3H3/t11-/m1/s1
InChIKeyNUGNTQQGMHGKFK-LLVKDONJSA-N
XLogP1.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.58
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
[(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
[(1R,5S)-2-methyl-2-azabicyclo[3.2.0]hept-6-en-1-yl]methanol
CID 126678630
(2-Methyl-1-prop-2-enylpyrrolidin-2-yl)methanol
CID 131087327
(1R)-1-[(2S)-1,2-dimethyl-4-methylidenepyrrolidin-2-yl]ethanol
CID 145041183
(1,2,3,5,8,8a-Hexahydroindolizin-8a-yl)methanol
CID 155820903
[(4R)-1-methyl-4-prop-2-enylpyrrolidin-2-yl]methanol
CID 156131389
(2-Butyl-1-methyl-4-methylidenepyrrolidin-2-yl)methanol
CID 164922029
ethane;(6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
CID 164922048

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-prop-1-en-2-yl-1-prop-2-enylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-2-prop-1-en-2-yl-1-prop-2-enylpyrrolidin-2-yl]methanol (CID 177095469) is [(2S)-2-prop-1-en-2-yl-1-prop-2-enylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-2-prop-1-en-2-yl-1-prop-2-enylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-2-prop-1-en-2-yl-1-prop-2-enylpyrrolidin-2-yl]methanol is C=CCN1CCC[C@@]1(CO)C(=C)C.
What is the InChIKey of [(2S)-2-prop-1-en-2-yl-1-prop-2-enylpyrrolidin-2-yl]methanol?
The InChIKey is NUGNTQQGMHGKFK-LLVKDONJSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-7-12-8-5-6-11(12,9-13)10(2)3/h4,13H,1-2,5-9H2,3H3/t11-/m1/s1.
What are the key properties of [(2S)-2-prop-1-en-2-yl-1-prop-2-enylpyrrolidin-2-yl]methanol?
[(2S)-2-prop-1-en-2-yl-1-prop-2-enylpyrrolidin-2-yl]methanol has a molecular weight of 181.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-prop-1-en-2-yl-1-prop-2-enylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 177095469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).