4,4-dimethyl-2,3-dihydrochromene-8-carboxamide

C12H15NO2 — CID 146530690

IUPAC4,4-dimethyl-2,3-dihydrochromene-8-carboxamide
SMILESCC1(C)CCOc2c(C(N)=O)cccc21
InChIInChI=1S/C12H15NO2/c1-12(2)6-7-15-10-8(11(13)14)4-3-5-9(10)12/h3-5H,6-7H2,1-2H3,(H2,13,14)
InChIKeyCPDZMXGBGNXMFK-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.85
Rot. Bonds1

About 4,4-dimethyl-2,3-dihydrochromene-8-carboxamide

4,4-dimethyl-2,3-dihydrochromene-8-carboxamide (PubChem CID 146530690) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4,4-dimethyl-2,3-dihydrochromene-8-carboxamide.

Molecular Properties

Compound Name4,4-dimethyl-2,3-dihydrochromene-8-carboxamide
PubChem CID146530690
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4,4-dimethyl-2,3-dihydrochromene-8-carboxamide
SMILESCC1(C)CCOc2c(C(N)=O)cccc21
InChIInChI=1S/C12H15NO2/c1-12(2)6-7-15-10-8(11(13)14)4-3-5-9(10)12/h3-5H,6-7H2,1-2H3,(H2,13,14)
InChIKeyCPDZMXGBGNXMFK-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2,3-dihydrochromene-8-carboxamide?
The IUPAC name of 4,4-dimethyl-2,3-dihydrochromene-8-carboxamide (CID 146530690) is 4,4-dimethyl-2,3-dihydrochromene-8-carboxamide.
What is the SMILES notation for 4,4-dimethyl-2,3-dihydrochromene-8-carboxamide?
The canonical SMILES for 4,4-dimethyl-2,3-dihydrochromene-8-carboxamide is CC1(C)CCOc2c(C(N)=O)cccc21.
What is the InChIKey of 4,4-dimethyl-2,3-dihydrochromene-8-carboxamide?
The InChIKey is CPDZMXGBGNXMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(2)6-7-15-10-8(11(13)14)4-3-5-9(10)12/h3-5H,6-7H2,1-2H3,(H2,13,14).
What are the key properties of 4,4-dimethyl-2,3-dihydrochromene-8-carboxamide?
4,4-dimethyl-2,3-dihydrochromene-8-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2,3-dihydrochromene-8-carboxamide is sourced from PubChem (CID 146530690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).