5-[(N-methylanilino)methyl]-5-prop-2-enylfuran-2-one

C15H17NO2 — CID 11514271

IUPAC5-[(N-methylanilino)methyl]-5-prop-2-enylfuran-2-one
SMILESC=CCC1(CN(C)c2ccccc2)C=CC(=O)O1
InChIInChI=1S/C15H17NO2/c1-3-10-15(11-9-14(17)18-15)12-16(2)13-7-5-4-6-8-13/h3-9,11H,1,10,12H2,2H3
InChIKeyZXZRGVPIBCBNRF-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.55
Rot. Bonds5

About 5-[(N-methylanilino)methyl]-5-prop-2-enylfuran-2-one

5-[(N-methylanilino)methyl]-5-prop-2-enylfuran-2-one (PubChem CID 11514271) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-[(N-methylanilino)methyl]-5-prop-2-enylfuran-2-one.

Molecular Properties

Compound Name5-[(N-methylanilino)methyl]-5-prop-2-enylfuran-2-one
PubChem CID11514271
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name5-[(N-methylanilino)methyl]-5-prop-2-enylfuran-2-one
SMILESC=CCC1(CN(C)c2ccccc2)C=CC(=O)O1
InChIInChI=1S/C15H17NO2/c1-3-10-15(11-9-14(17)18-15)12-16(2)13-7-5-4-6-8-13/h3-9,11H,1,10,12H2,2H3
InChIKeyZXZRGVPIBCBNRF-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-[(N-methylanilino)methyl]-5-prop-2-enylfuran-2-one?
The IUPAC name of 5-[(N-methylanilino)methyl]-5-prop-2-enylfuran-2-one (CID 11514271) is 5-[(N-methylanilino)methyl]-5-prop-2-enylfuran-2-one.
What is the SMILES notation for 5-[(N-methylanilino)methyl]-5-prop-2-enylfuran-2-one?
The canonical SMILES for 5-[(N-methylanilino)methyl]-5-prop-2-enylfuran-2-one is C=CCC1(CN(C)c2ccccc2)C=CC(=O)O1.
What is the InChIKey of 5-[(N-methylanilino)methyl]-5-prop-2-enylfuran-2-one?
The InChIKey is ZXZRGVPIBCBNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-10-15(11-9-14(17)18-15)12-16(2)13-7-5-4-6-8-13/h3-9,11H,1,10,12H2,2H3.
What are the key properties of 5-[(N-methylanilino)methyl]-5-prop-2-enylfuran-2-one?
5-[(N-methylanilino)methyl]-5-prop-2-enylfuran-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(N-methylanilino)methyl]-5-prop-2-enylfuran-2-one is sourced from PubChem (CID 11514271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).