N-(1,3-dimethylideneinden-4-yl)formamide;ethane;3-methyl-6-methylidenepiperidin-2-one

C21H28N2O2 — CID 144735254

IUPACN-(1,3-dimethylideneinden-4-yl)formamide;ethane;3-methyl-6-methylidenepiperidin-2-one
SMILESC=C1CC(=C)c2c(NC=O)cccc21.C=C1CCC(C)C(=O)N1.CC
InChIInChI=1S/C12H11NO.C7H11NO.C2H6/c1-8-6-9(2)12-10(8)4-3-5-11(12)13-7-14;1-5-3-4-6(2)8-7(5)9;1-2/h3-5,7H,1-2,6H2,(H,13,14);5H,2-4H2,1H3,(H,8,9);1-2H3
InChIKeySRSSOTNZFZNMOQ-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.76
Rot. Bonds2

About N-(1,3-dimethylideneinden-4-yl)formamide;ethane;3-methyl-6-methylidenepiperidin-2-one

N-(1,3-dimethylideneinden-4-yl)formamide;ethane;3-methyl-6-methylidenepiperidin-2-one (PubChem CID 144735254) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(1,3-dimethylideneinden-4-yl)formamide;ethane;3-methyl-6-methylidenepiperidin-2-one.

Molecular Properties

Compound NameN-(1,3-dimethylideneinden-4-yl)formamide;ethane;3-methyl-6-methylidenepiperidin-2-one
PubChem CID144735254
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-(1,3-dimethylideneinden-4-yl)formamide;ethane;3-methyl-6-methylidenepiperidin-2-one
SMILESC=C1CC(=C)c2c(NC=O)cccc21.C=C1CCC(C)C(=O)N1.CC
InChIInChI=1S/C12H11NO.C7H11NO.C2H6/c1-8-6-9(2)12-10(8)4-3-5-11(12)13-7-14;1-5-3-4-6(2)8-7(5)9;1-2/h3-5,7H,1-2,6H2,(H,13,14);5H,2-4H2,1H3,(H,8,9);1-2H3
InChIKeySRSSOTNZFZNMOQ-UHFFFAOYSA-N
XLogP4.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylideneinden-4-yl)formamide;ethane;3-methyl-6-methylidenepiperidin-2-one?
The IUPAC name of N-(1,3-dimethylideneinden-4-yl)formamide;ethane;3-methyl-6-methylidenepiperidin-2-one (CID 144735254) is N-(1,3-dimethylideneinden-4-yl)formamide;ethane;3-methyl-6-methylidenepiperidin-2-one.
What is the SMILES notation for N-(1,3-dimethylideneinden-4-yl)formamide;ethane;3-methyl-6-methylidenepiperidin-2-one?
The canonical SMILES for N-(1,3-dimethylideneinden-4-yl)formamide;ethane;3-methyl-6-methylidenepiperidin-2-one is C=C1CC(=C)c2c(NC=O)cccc21.C=C1CCC(C)C(=O)N1.CC.
What is the InChIKey of N-(1,3-dimethylideneinden-4-yl)formamide;ethane;3-methyl-6-methylidenepiperidin-2-one?
The InChIKey is SRSSOTNZFZNMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO.C7H11NO.C2H6/c1-8-6-9(2)12-10(8)4-3-5-11(12)13-7-14;1-5-3-4-6(2)8-7(5)9;1-2/h3-5,7H,1-2,6H2,(H,13,14);5H,2-4H2,1H3,(H,8,9);1-2H3.
What are the key properties of N-(1,3-dimethylideneinden-4-yl)formamide;ethane;3-methyl-6-methylidenepiperidin-2-one?
N-(1,3-dimethylideneinden-4-yl)formamide;ethane;3-methyl-6-methylidenepiperidin-2-one has a molecular weight of 340.47 g/mol, XLogP of 4.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylideneinden-4-yl)formamide;ethane;3-methyl-6-methylidenepiperidin-2-one is sourced from PubChem (CID 144735254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).