7,8-dimethyl-5-methylidene-3-piperidin-1-yl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),3-dien-2-one

C19H27NO — CID 143610868

IUPAC7,8-dimethyl-5-methylidene-3-piperidin-1-yl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),3-dien-2-one
SMILESC=C1C(C(C)C)=C(N2CCCCC2)C(=O)C2=C1C(C)C2C
InChIInChI=1S/C19H27NO/c1-11(2)15-14(5)16-12(3)13(4)17(16)19(21)18(15)20-9-7-6-8-10-20/h11-13H,5-10H2,1-4H3
InChIKeyJLCDRPSXTCHERU-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.10
Rot. Bonds2

About 7,8-dimethyl-5-methylidene-3-piperidin-1-yl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),3-dien-2-one

7,8-dimethyl-5-methylidene-3-piperidin-1-yl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),3-dien-2-one (PubChem CID 143610868) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 7,8-dimethyl-5-methylidene-3-piperidin-1-yl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),3-dien-2-one.

Molecular Properties

Compound Name7,8-dimethyl-5-methylidene-3-piperidin-1-yl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),3-dien-2-one
PubChem CID143610868
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name7,8-dimethyl-5-methylidene-3-piperidin-1-yl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),3-dien-2-one
SMILESC=C1C(C(C)C)=C(N2CCCCC2)C(=O)C2=C1C(C)C2C
InChIInChI=1S/C19H27NO/c1-11(2)15-14(5)16-12(3)13(4)17(16)19(21)18(15)20-9-7-6-8-10-20/h11-13H,5-10H2,1-4H3
InChIKeyJLCDRPSXTCHERU-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-5-methylidene-3-piperidin-1-yl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),3-dien-2-one?
The IUPAC name of 7,8-dimethyl-5-methylidene-3-piperidin-1-yl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),3-dien-2-one (CID 143610868) is 7,8-dimethyl-5-methylidene-3-piperidin-1-yl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),3-dien-2-one.
What is the SMILES notation for 7,8-dimethyl-5-methylidene-3-piperidin-1-yl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),3-dien-2-one?
The canonical SMILES for 7,8-dimethyl-5-methylidene-3-piperidin-1-yl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),3-dien-2-one is C=C1C(C(C)C)=C(N2CCCCC2)C(=O)C2=C1C(C)C2C.
What is the InChIKey of 7,8-dimethyl-5-methylidene-3-piperidin-1-yl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),3-dien-2-one?
The InChIKey is JLCDRPSXTCHERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-11(2)15-14(5)16-12(3)13(4)17(16)19(21)18(15)20-9-7-6-8-10-20/h11-13H,5-10H2,1-4H3.
What are the key properties of 7,8-dimethyl-5-methylidene-3-piperidin-1-yl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),3-dien-2-one?
7,8-dimethyl-5-methylidene-3-piperidin-1-yl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),3-dien-2-one has a molecular weight of 285.43 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-5-methylidene-3-piperidin-1-yl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),3-dien-2-one is sourced from PubChem (CID 143610868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).