ethane;3-methylidenepyrrolidin-2-one

C7H13NO — CID 143832515

IUPACethane;3-methylidenepyrrolidin-2-one
SMILESC=C1CCNC1=O.CC
InChIInChI=1S/C5H7NO.C2H6/c1-4-2-3-6-5(4)7;1-2/h1-3H2,(H,6,7);1-2H3
InChIKeyMRCSRUOLNUMCII-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.09
Rot. Bonds

About ethane;3-methylidenepyrrolidin-2-one

ethane;3-methylidenepyrrolidin-2-one (PubChem CID 143832515) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is ethane;3-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Nameethane;3-methylidenepyrrolidin-2-one
PubChem CID143832515
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Nameethane;3-methylidenepyrrolidin-2-one
SMILESC=C1CCNC1=O.CC
InChIInChI=1S/C5H7NO.C2H6/c1-4-2-3-6-5(4)7;1-2/h1-3H2,(H,6,7);1-2H3
InChIKeyMRCSRUOLNUMCII-UHFFFAOYSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Methylidenepyrrolidin-2-one
CID 10909493
(E)-3-Ethylidenepyrrolidin-2-one
CID 20088381
1-Methyl-3-methylidenepyrrolidin-2-one
CID 10844354
5-Ethyl-3-methylidenepyrrolidin-2-one
CID 11378489
5-Methyl-3-methylidenepyrrolidin-2-one
CID 23088885
CID 53701396
CID 53701396
3-Ethylidenepyrrolidin-2-one
CID 5317249
n,n'-Diethylacrylamide
CID 21584923
4-Methylenepyrrolidin-2-one
CID 68306046
alpha-Chloromethylene-gamma-butyrolactam
CID 129845081
3-Propan-2-ylidenepyrrolidin-2-one
CID 10749180
1-Butyl-3-methylidenepyrrolidin-2-one
CID 14356465

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylidenepyrrolidin-2-one?
The IUPAC name of ethane;3-methylidenepyrrolidin-2-one (CID 143832515) is ethane;3-methylidenepyrrolidin-2-one.
What is the SMILES notation for ethane;3-methylidenepyrrolidin-2-one?
The canonical SMILES for ethane;3-methylidenepyrrolidin-2-one is C=C1CCNC1=O.CC.
What is the InChIKey of ethane;3-methylidenepyrrolidin-2-one?
The InChIKey is MRCSRUOLNUMCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.C2H6/c1-4-2-3-6-5(4)7;1-2/h1-3H2,(H,6,7);1-2H3.
What are the key properties of ethane;3-methylidenepyrrolidin-2-one?
ethane;3-methylidenepyrrolidin-2-one has a molecular weight of 127.19 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylidenepyrrolidin-2-one is sourced from PubChem (CID 143832515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).