ethane;4-ethenyl-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one

C14H25NO — CID 142450288

IUPACethane;4-ethenyl-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
SMILESC=CC1=C(/C=C\C)N(C)C(=O)C1.CC.CC
InChIInChI=1S/C10H13NO.2C2H6/c1-4-6-9-8(5-2)7-10(12)11(9)3;2*1-2/h4-6H,2,7H2,1,3H3;2*1-2H3/b6-4-;;
InChIKeyPUOKKYCTPOMFFT-XFUGJFOESA-N
MW223.36 g/mol
LogP3.92
Rot. Bonds2

About ethane;4-ethenyl-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one

ethane;4-ethenyl-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one (PubChem CID 142450288) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is ethane;4-ethenyl-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one.

Molecular Properties

Compound Nameethane;4-ethenyl-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
PubChem CID142450288
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Nameethane;4-ethenyl-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
SMILESC=CC1=C(/C=C\C)N(C)C(=O)C1.CC.CC
InChIInChI=1S/C10H13NO.2C2H6/c1-4-6-9-8(5-2)7-10(12)11(9)3;2*1-2/h4-6H,2,7H2,1,3H3;2*1-2H3/b6-4-;;
InChIKeyPUOKKYCTPOMFFT-XFUGJFOESA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenyl-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one?
The IUPAC name of ethane;4-ethenyl-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one (CID 142450288) is ethane;4-ethenyl-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one.
What is the SMILES notation for ethane;4-ethenyl-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one?
The canonical SMILES for ethane;4-ethenyl-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one is C=CC1=C(/C=C\C)N(C)C(=O)C1.CC.CC.
What is the InChIKey of ethane;4-ethenyl-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one?
The InChIKey is PUOKKYCTPOMFFT-XFUGJFOESA-N. The full InChI is InChI=1S/C10H13NO.2C2H6/c1-4-6-9-8(5-2)7-10(12)11(9)3;2*1-2/h4-6H,2,7H2,1,3H3;2*1-2H3/b6-4-;;.
What are the key properties of ethane;4-ethenyl-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one?
ethane;4-ethenyl-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one has a molecular weight of 223.36 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyl-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one is sourced from PubChem (CID 142450288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).