2-(N-methylanilino)-2-prop-2-enylcyclobutan-1-one

C14H17NO — CID 132850827

IUPAC2-(N-methylanilino)-2-prop-2-enylcyclobutan-1-one
SMILESC=CCC1(N(C)c2ccccc2)CCC1=O
InChIInChI=1S/C14H17NO/c1-3-10-14(11-9-13(14)16)15(2)12-7-5-4-6-8-12/h3-8H,1,9-11H2,2H3
InChIKeyKLRVIXNBMLNQFG-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.80
Rot. Bonds4

About 2-(N-methylanilino)-2-prop-2-enylcyclobutan-1-one

2-(N-methylanilino)-2-prop-2-enylcyclobutan-1-one (PubChem CID 132850827) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(N-methylanilino)-2-prop-2-enylcyclobutan-1-one.

Molecular Properties

Compound Name2-(N-methylanilino)-2-prop-2-enylcyclobutan-1-one
PubChem CID132850827
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-(N-methylanilino)-2-prop-2-enylcyclobutan-1-one
SMILESC=CCC1(N(C)c2ccccc2)CCC1=O
InChIInChI=1S/C14H17NO/c1-3-10-14(11-9-13(14)16)15(2)12-7-5-4-6-8-12/h3-8H,1,9-11H2,2H3
InChIKeyKLRVIXNBMLNQFG-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(N-methylanilino)-2-prop-2-enylcyclobutan-1-one?
The IUPAC name of 2-(N-methylanilino)-2-prop-2-enylcyclobutan-1-one (CID 132850827) is 2-(N-methylanilino)-2-prop-2-enylcyclobutan-1-one.
What is the SMILES notation for 2-(N-methylanilino)-2-prop-2-enylcyclobutan-1-one?
The canonical SMILES for 2-(N-methylanilino)-2-prop-2-enylcyclobutan-1-one is C=CCC1(N(C)c2ccccc2)CCC1=O.
What is the InChIKey of 2-(N-methylanilino)-2-prop-2-enylcyclobutan-1-one?
The InChIKey is KLRVIXNBMLNQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-10-14(11-9-13(14)16)15(2)12-7-5-4-6-8-12/h3-8H,1,9-11H2,2H3.
What are the key properties of 2-(N-methylanilino)-2-prop-2-enylcyclobutan-1-one?
2-(N-methylanilino)-2-prop-2-enylcyclobutan-1-one has a molecular weight of 215.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)-2-prop-2-enylcyclobutan-1-one is sourced from PubChem (CID 132850827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).