6-(cyclobutanecarbonyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide

C17H24N2O2 — CID 155253069

IUPAC6-(cyclobutanecarbonyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide
SMILESCC1(C(=O)C2CCC2)C(C2CCNC2)=CC=CC1C(N)=O
InChIInChI=1S/C17H24N2O2/c1-17(15(20)11-4-2-5-11)13(12-8-9-19-10-12)6-3-7-14(17)16(18)21/h3,6-7,11-12,14,19H,2,4-5,8-10H2,1H3,(H2,18,21)
InChIKeySVGOFYJMEBEFNO-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.57
Rot. Bonds4

About 6-(cyclobutanecarbonyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide

6-(cyclobutanecarbonyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 155253069) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-(cyclobutanecarbonyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-(cyclobutanecarbonyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide
PubChem CID155253069
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name6-(cyclobutanecarbonyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide
SMILESCC1(C(=O)C2CCC2)C(C2CCNC2)=CC=CC1C(N)=O
InChIInChI=1S/C17H24N2O2/c1-17(15(20)11-4-2-5-11)13(12-8-9-19-10-12)6-3-7-14(17)16(18)21/h3,6-7,11-12,14,19H,2,4-5,8-10H2,1H3,(H2,18,21)
InChIKeySVGOFYJMEBEFNO-UHFFFAOYSA-N
XLogP1.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclobutanecarbonyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-(cyclobutanecarbonyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide (CID 155253069) is 6-(cyclobutanecarbonyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-(cyclobutanecarbonyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-(cyclobutanecarbonyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide is CC1(C(=O)C2CCC2)C(C2CCNC2)=CC=CC1C(N)=O.
What is the InChIKey of 6-(cyclobutanecarbonyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is SVGOFYJMEBEFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(15(20)11-4-2-5-11)13(12-8-9-19-10-12)6-3-7-14(17)16(18)21/h3,6-7,11-12,14,19H,2,4-5,8-10H2,1H3,(H2,18,21).
What are the key properties of 6-(cyclobutanecarbonyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide?
6-(cyclobutanecarbonyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclobutanecarbonyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 155253069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).