ethane;1-[(2R)-2-ethenylpyrrolidin-2-yl]-2-methylpropan-1-one

C12H23NO — CID 143339665

IUPACethane;1-[(2R)-2-ethenylpyrrolidin-2-yl]-2-methylpropan-1-one
SMILESC=C[C@@]1(C(=O)C(C)C)CCCN1.CC
InChIInChI=1S/C10H17NO.C2H6/c1-4-10(6-5-7-11-10)9(12)8(2)3;1-2/h4,8,11H,1,5-7H2,2-3H3;1-2H3/t10-;/m0./s1
InChIKeyAWPBZIKVZAVINC-PPHPATTJSA-N
MW197.32 g/mol
LogP2.55
Rot. Bonds3

About ethane;1-[(2R)-2-ethenylpyrrolidin-2-yl]-2-methylpropan-1-one

ethane;1-[(2R)-2-ethenylpyrrolidin-2-yl]-2-methylpropan-1-one (PubChem CID 143339665) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is ethane;1-[(2R)-2-ethenylpyrrolidin-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Nameethane;1-[(2R)-2-ethenylpyrrolidin-2-yl]-2-methylpropan-1-one
PubChem CID143339665
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Nameethane;1-[(2R)-2-ethenylpyrrolidin-2-yl]-2-methylpropan-1-one
SMILESC=C[C@@]1(C(=O)C(C)C)CCCN1.CC
InChIInChI=1S/C10H17NO.C2H6/c1-4-10(6-5-7-11-10)9(12)8(2)3;1-2/h4,8,11H,1,5-7H2,2-3H3;1-2H3/t10-;/m0./s1
InChIKeyAWPBZIKVZAVINC-PPHPATTJSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2R)-2-ethenylpyrrolidin-2-yl]-2-methylpropan-1-one?
The IUPAC name of ethane;1-[(2R)-2-ethenylpyrrolidin-2-yl]-2-methylpropan-1-one (CID 143339665) is ethane;1-[(2R)-2-ethenylpyrrolidin-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for ethane;1-[(2R)-2-ethenylpyrrolidin-2-yl]-2-methylpropan-1-one?
The canonical SMILES for ethane;1-[(2R)-2-ethenylpyrrolidin-2-yl]-2-methylpropan-1-one is C=C[C@@]1(C(=O)C(C)C)CCCN1.CC.
What is the InChIKey of ethane;1-[(2R)-2-ethenylpyrrolidin-2-yl]-2-methylpropan-1-one?
The InChIKey is AWPBZIKVZAVINC-PPHPATTJSA-N. The full InChI is InChI=1S/C10H17NO.C2H6/c1-4-10(6-5-7-11-10)9(12)8(2)3;1-2/h4,8,11H,1,5-7H2,2-3H3;1-2H3/t10-;/m0./s1.
What are the key properties of ethane;1-[(2R)-2-ethenylpyrrolidin-2-yl]-2-methylpropan-1-one?
ethane;1-[(2R)-2-ethenylpyrrolidin-2-yl]-2-methylpropan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2R)-2-ethenylpyrrolidin-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 143339665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).