ethane;5-ethyl-5-prop-2-enylpyrrolidin-2-one

C11H21NO — CID 164536295

IUPACethane;5-ethyl-5-prop-2-enylpyrrolidin-2-one
SMILESC=CCC1(CC)CCC(=O)N1.CC
InChIInChI=1S/C9H15NO.C2H6/c1-3-6-9(4-2)7-5-8(11)10-9;1-2/h3H,1,4-7H2,2H3,(H,10,11);1-2H3
InChIKeyYIIWJUQZMQEHJH-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.65
Rot. Bonds3

About ethane;5-ethyl-5-prop-2-enylpyrrolidin-2-one

ethane;5-ethyl-5-prop-2-enylpyrrolidin-2-one (PubChem CID 164536295) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is ethane;5-ethyl-5-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Nameethane;5-ethyl-5-prop-2-enylpyrrolidin-2-one
PubChem CID164536295
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Nameethane;5-ethyl-5-prop-2-enylpyrrolidin-2-one
SMILESC=CCC1(CC)CCC(=O)N1.CC
InChIInChI=1S/C9H15NO.C2H6/c1-3-6-9(4-2)7-5-8(11)10-9;1-2/h3H,1,4-7H2,2H3,(H,10,11);1-2H3
InChIKeyYIIWJUQZMQEHJH-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2-ethenyl-4-azaspiro[2.4]heptan-5-one
CID 24809348
N-tert-butylhept-6-enamide
CID 15640341
1-Azaspiro[4.4]non-6-EN-2-one
CID 23584432
2-Ethenyl-4-azaspiro[2.4]heptan-5-one
CID 74322184
5,5-Bis(prop-2-enyl)pyrrolidin-2-one
CID 138965083
5-Ethenyl-5-methylpyrrolidin-2-one
CID 298595
5-But-1-en-2-yl-5-methylpyrrolidin-2-one
CID 18518845
4-Methyl-5-(2-propenyl)pyrrolidin-2-one
CID 18782103
N-tert-butyl-2-(2-methylprop-2-enyl)hex-5-enamide
CID 20790186
N-tert-butyl-4-methyl-2-prop-2-enylpent-4-enamide
CID 20790194
N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide
CID 20790222
N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide
CID 20790233

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-5-prop-2-enylpyrrolidin-2-one?
The IUPAC name of ethane;5-ethyl-5-prop-2-enylpyrrolidin-2-one (CID 164536295) is ethane;5-ethyl-5-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for ethane;5-ethyl-5-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for ethane;5-ethyl-5-prop-2-enylpyrrolidin-2-one is C=CCC1(CC)CCC(=O)N1.CC.
What is the InChIKey of ethane;5-ethyl-5-prop-2-enylpyrrolidin-2-one?
The InChIKey is YIIWJUQZMQEHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.C2H6/c1-3-6-9(4-2)7-5-8(11)10-9;1-2/h3H,1,4-7H2,2H3,(H,10,11);1-2H3.
What are the key properties of ethane;5-ethyl-5-prop-2-enylpyrrolidin-2-one?
ethane;5-ethyl-5-prop-2-enylpyrrolidin-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-5-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 164536295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).