ethene;(3Z)-penta-1,3-diene;pyrrolidin-2-one

C11H19NO — CID 143177606

IUPACethene;(3Z)-penta-1,3-diene;pyrrolidin-2-one
SMILESC=C.C=C/C=C\C.O=C1CCCN1
InChIInChI=1S/C5H8.C4H7NO.C2H4/c1-3-5-4-2;6-4-2-1-3-5-4;1-2/h3-5H,1H2,2H3;1-3H2,(H,5,6);1-2H2/b5-4-;;
InChIKeyXYHWOPSFKKQNDC-WNCVTPEDSA-N
MW181.28 g/mol
LogP2.45
Rot. Bonds1

About ethene;(3Z)-penta-1,3-diene;pyrrolidin-2-one

ethene;(3Z)-penta-1,3-diene;pyrrolidin-2-one (PubChem CID 143177606) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is ethene;(3Z)-penta-1,3-diene;pyrrolidin-2-one.

Molecular Properties

Compound Nameethene;(3Z)-penta-1,3-diene;pyrrolidin-2-one
PubChem CID143177606
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameethene;(3Z)-penta-1,3-diene;pyrrolidin-2-one
SMILESC=C.C=C/C=C\C.O=C1CCCN1
InChIInChI=1S/C5H8.C4H7NO.C2H4/c1-3-5-4-2;6-4-2-1-3-5-4;1-2/h3-5H,1H2,2H3;1-3H2,(H,5,6);1-2H2/b5-4-;;
InChIKeyXYHWOPSFKKQNDC-WNCVTPEDSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethene;pyrrolidin-2-one
CID 18949514
ethene;bis(pyrrolidin-2-one)
CID 67822125
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CID 159763245
ethane;pyrrolidin-2-one
CID 54451151
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CID 174831438
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CID 174413202
pyrrolidin-2-one;hydrate
CID 19382566
2-methylprop-1-ene;pyrrolidin-2-one
CID 174928634
magnesium;pyrrolidin-2-one;dibromide
CID 67853208
ethane-1,2-diol;ethene;pyrrolidin-2-one
CID 69133402
1-ethenylpyrrolidine;pyrrolidin-2-one
CID 174946746
prop-2-enamide;pyrrolidin-2-one
CID 23358591

Frequently Asked Questions

What is the IUPAC name of ethene;(3Z)-penta-1,3-diene;pyrrolidin-2-one?
The IUPAC name of ethene;(3Z)-penta-1,3-diene;pyrrolidin-2-one (CID 143177606) is ethene;(3Z)-penta-1,3-diene;pyrrolidin-2-one.
What is the SMILES notation for ethene;(3Z)-penta-1,3-diene;pyrrolidin-2-one?
The canonical SMILES for ethene;(3Z)-penta-1,3-diene;pyrrolidin-2-one is C=C.C=C/C=C\C.O=C1CCCN1.
What is the InChIKey of ethene;(3Z)-penta-1,3-diene;pyrrolidin-2-one?
The InChIKey is XYHWOPSFKKQNDC-WNCVTPEDSA-N. The full InChI is InChI=1S/C5H8.C4H7NO.C2H4/c1-3-5-4-2;6-4-2-1-3-5-4;1-2/h3-5H,1H2,2H3;1-3H2,(H,5,6);1-2H2/b5-4-;;.
What are the key properties of ethene;(3Z)-penta-1,3-diene;pyrrolidin-2-one?
ethene;(3Z)-penta-1,3-diene;pyrrolidin-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(3Z)-penta-1,3-diene;pyrrolidin-2-one is sourced from PubChem (CID 143177606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).