methane;2-methyl-1-(2-prop-1-en-2-ylpyrrolidin-1-yl)propan-1-one

C13H27NO — CID 159704990

IUPACmethane;2-methyl-1-(2-prop-1-en-2-ylpyrrolidin-1-yl)propan-1-one
SMILESC.C.C=C(C)C1CCCN1C(=O)C(C)C
InChIInChI=1S/C11H19NO.2CH4/c1-8(2)10-6-5-7-12(10)11(13)9(3)4;;/h9-10H,1,5-7H2,2-4H3;2*1H4
InChIKeyMYCFFVCJKLFBFI-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.48
Rot. Bonds2

About methane;2-methyl-1-(2-prop-1-en-2-ylpyrrolidin-1-yl)propan-1-one

methane;2-methyl-1-(2-prop-1-en-2-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 159704990) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is methane;2-methyl-1-(2-prop-1-en-2-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Namemethane;2-methyl-1-(2-prop-1-en-2-ylpyrrolidin-1-yl)propan-1-one
PubChem CID159704990
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Namemethane;2-methyl-1-(2-prop-1-en-2-ylpyrrolidin-1-yl)propan-1-one
SMILESC.C.C=C(C)C1CCCN1C(=O)C(C)C
InChIInChI=1S/C11H19NO.2CH4/c1-8(2)10-6-5-7-12(10)11(13)9(3)4;;/h9-10H,1,5-7H2,2-4H3;2*1H4
InChIKeyMYCFFVCJKLFBFI-UHFFFAOYSA-N
XLogP3.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,4S)-4-fluoro-2-prop-1-en-2-ylpyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 169835534
8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one
CID 73115230
1-Cyclohexyl-4-methylidenepyrrolidin-2-one
CID 138969229
1-Cycloheptyl-4-methylidenepyrrolidin-2-one
CID 138969436
CID 14982376
CID 14982376
CID 14982377
CID 14982377
CID 14982378
CID 14982378
2,2,2-trifluoro-1-[(2S)-2-prop-1-en-2-ylpyrrolidin-1-yl]ethanone
CID 53253829
CID 131847324
CID 131847324
(8aS)-8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one
CID 11815946
1-[(2S)-2-ethenylpyrrolidin-1-yl]propan-1-one
CID 15182075
1-(5-Methyl-6-methylidenenonan-2-yl)pyrrolidin-2-one
CID 20657016

Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-1-(2-prop-1-en-2-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of methane;2-methyl-1-(2-prop-1-en-2-ylpyrrolidin-1-yl)propan-1-one (CID 159704990) is methane;2-methyl-1-(2-prop-1-en-2-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for methane;2-methyl-1-(2-prop-1-en-2-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for methane;2-methyl-1-(2-prop-1-en-2-ylpyrrolidin-1-yl)propan-1-one is C.C.C=C(C)C1CCCN1C(=O)C(C)C.
What is the InChIKey of methane;2-methyl-1-(2-prop-1-en-2-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is MYCFFVCJKLFBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO.2CH4/c1-8(2)10-6-5-7-12(10)11(13)9(3)4;;/h9-10H,1,5-7H2,2-4H3;2*1H4.
What are the key properties of methane;2-methyl-1-(2-prop-1-en-2-ylpyrrolidin-1-yl)propan-1-one?
methane;2-methyl-1-(2-prop-1-en-2-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 213.36 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-1-(2-prop-1-en-2-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 159704990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).