ethane;N-methyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetamide

C13H23N3O — CID 91251822

IUPACethane;N-methyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetamide
SMILESCC.CC(=O)N(C)c1c2c(nn1C)CCCC2
InChIInChI=1S/C11H17N3O.C2H6/c1-8(15)13(2)11-9-6-4-5-7-10(9)12-14(11)3;1-2/h4-7H2,1-3H3;1-2H3
InChIKeyMJMXIBNPTSUUMQ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.31
Rot. Bonds1

About ethane;N-methyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetamide

ethane;N-methyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetamide (PubChem CID 91251822) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is ethane;N-methyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetamide.

Molecular Properties

Compound Nameethane;N-methyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetamide
PubChem CID91251822
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Nameethane;N-methyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetamide
SMILESCC.CC(=O)N(C)c1c2c(nn1C)CCCC2
InChIInChI=1S/C11H17N3O.C2H6/c1-8(15)13(2)11-9-6-4-5-7-10(9)12-14(11)3;1-2/h4-7H2,1-3H3;1-2H3
InChIKeyMJMXIBNPTSUUMQ-UHFFFAOYSA-N
XLogP2.31
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetamide?
The IUPAC name of ethane;N-methyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetamide (CID 91251822) is ethane;N-methyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetamide.
What is the SMILES notation for ethane;N-methyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetamide?
The canonical SMILES for ethane;N-methyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetamide is CC.CC(=O)N(C)c1c2c(nn1C)CCCC2.
What is the InChIKey of ethane;N-methyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetamide?
The InChIKey is MJMXIBNPTSUUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.C2H6/c1-8(15)13(2)11-9-6-4-5-7-10(9)12-14(11)3;1-2/h4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;N-methyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetamide?
ethane;N-methyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetamide has a molecular weight of 237.35 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetamide is sourced from PubChem (CID 91251822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).