1-[(2R)-2-(1-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one

C10H17NO2 — CID 166414594

IUPAC1-[(2R)-2-(1-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC[C@@H]1C(O)CC
InChIInChI=1S/C10H17NO2/c1-3-9(12)8-6-5-7-11(8)10(13)4-2/h4,8-9,12H,2-3,5-7H2,1H3/t8-,9?/m1/s1
InChIKeyIZQWJBGTYGXBLZ-VEDVMXKPSA-N
MW183.25 g/mol
LogP0.93
Rot. Bonds3

About 1-[(2R)-2-(1-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one

1-[(2R)-2-(1-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 166414594) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[(2R)-2-(1-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(1-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one
PubChem CID166414594
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-[(2R)-2-(1-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC[C@@H]1C(O)CC
InChIInChI=1S/C10H17NO2/c1-3-9(12)8-6-5-7-11(8)10(13)4-2/h4,8-9,12H,2-3,5-7H2,1H3/t8-,9?/m1/s1
InChIKeyIZQWJBGTYGXBLZ-VEDVMXKPSA-N
XLogP0.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-[nitro(phenyl)methyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 58567904
CID 157325729
CID 157325729
1-[2-(methylaminomethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 115316297
1-[2-(1-hydroxypropyl)piperidin-1-yl]-2,4-dimethylpent-4-en-1-one
CID 126820800
(1S)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol;(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-ol
CID 165045426
1-[(2S)-2-acetylpyrrolidin-1-yl]prop-2-en-1-one
CID 176716114
1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one
CID 45113887
1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 96680756
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 71355613
1-(2-propan-2-yloxypyrrolidin-1-yl)prop-2-en-1-one
CID 14549802
2-methyl-1-prop-2-enoylpiperidine-3-carboxylic acid
CID 130979256
N-(1-prop-2-enoylpyrrolidin-2-yl)-N-propylprop-2-enamide
CID 54114917

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(1-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[(2R)-2-(1-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one (CID 166414594) is 1-[(2R)-2-(1-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(2R)-2-(1-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(2R)-2-(1-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC[C@@H]1C(O)CC.
What is the InChIKey of 1-[(2R)-2-(1-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one?
The InChIKey is IZQWJBGTYGXBLZ-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-9(12)8-6-5-7-11(8)10(13)4-2/h4,8-9,12H,2-3,5-7H2,1H3/t8-,9?/m1/s1.
What are the key properties of 1-[(2R)-2-(1-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one?
1-[(2R)-2-(1-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 183.25 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(1-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 166414594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).