ethane;3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one

C10H16N2O — CID 145416254

IUPACethane;3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one
SMILESC=CC1=C(N=C)C(=O)N(C)C1.CC
InChIInChI=1S/C8H10N2O.C2H6/c1-4-6-5-10(3)8(11)7(6)9-2;1-2/h4H,1-2,5H2,3H3;1-2H3
InChIKeyGGEHAZKLZLLVTN-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.63
Rot. Bonds2

About ethane;3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one

ethane;3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one (PubChem CID 145416254) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is ethane;3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one.

Molecular Properties

Compound Nameethane;3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one
PubChem CID145416254
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Nameethane;3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one
SMILESC=CC1=C(N=C)C(=O)N(C)C1.CC
InChIInChI=1S/C8H10N2O.C2H6/c1-4-6-5-10(3)8(11)7(6)9-2;1-2/h4H,1-2,5H2,3H3;1-2H3
InChIKeyGGEHAZKLZLLVTN-UHFFFAOYSA-N
XLogP1.63
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 142365592
4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 142365593
1-[3-Ethenyl-4-(ethylideneamino)-2,5-dihydropyrrol-1-yl]ethanone
CID 143088905
Ethane;4-ethenyl-3-(methylideneamino)-1,2-dihydropyrrol-5-one
CID 143711201
ethane;(2Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide
CID 143810965
4-ethenyl-3-(methylideneamino)-1-propan-2-yl-2H-pyrrol-5-one
CID 144396741
4-ethenyl-3-(ethylideneamino)-1-methyl-2H-pyrrol-5-one
CID 145127025
ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 145261989
Ethane;3-ethenyl-4-(methylideneamino)-1,2-dihydropyrrol-5-one
CID 145394076
3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one
CID 145416255
Ethane;4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one
CID 145416260
3-Ethenyl-1-methyl-4-(methylideneamino)pyrrole-2,5-dione
CID 145558722

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one?
The IUPAC name of ethane;3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one (CID 145416254) is ethane;3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one.
What is the SMILES notation for ethane;3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one?
The canonical SMILES for ethane;3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one is C=CC1=C(N=C)C(=O)N(C)C1.CC.
What is the InChIKey of ethane;3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one?
The InChIKey is GGEHAZKLZLLVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.C2H6/c1-4-6-5-10(3)8(11)7(6)9-2;1-2/h4H,1-2,5H2,3H3;1-2H3.
What are the key properties of ethane;3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one?
ethane;3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one has a molecular weight of 180.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one is sourced from PubChem (CID 145416254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).