1-(3,3-dimethyl-7H-pyrano[2,3-c]carbazol-10-yl)ethanone

C19H17NO2 — CID 162900812

IUPAC1-(3,3-dimethyl-7H-pyrano[2,3-c]carbazol-10-yl)ethanone
SMILESCC(=O)c1ccc2[nH]c3ccc4c(c3c2c1)C=CC(C)(C)O4
InChIInChI=1S/C19H17NO2/c1-11(21)12-4-5-15-14(10-12)18-13-8-9-19(2,3)22-17(13)7-6-16(18)20-15/h4-10,20H,1-3H3
InChIKeyKGSIEHHCVVSUOW-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.71
Rot. Bonds1

About 1-(3,3-dimethyl-7H-pyrano[2,3-c]carbazol-10-yl)ethanone

1-(3,3-dimethyl-7H-pyrano[2,3-c]carbazol-10-yl)ethanone (PubChem CID 162900812) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(3,3-dimethyl-7H-pyrano[2,3-c]carbazol-10-yl)ethanone.

Molecular Properties

Compound Name1-(3,3-dimethyl-7H-pyrano[2,3-c]carbazol-10-yl)ethanone
PubChem CID162900812
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name1-(3,3-dimethyl-7H-pyrano[2,3-c]carbazol-10-yl)ethanone
SMILESCC(=O)c1ccc2[nH]c3ccc4c(c3c2c1)C=CC(C)(C)O4
InChIInChI=1S/C19H17NO2/c1-11(21)12-4-5-15-14(10-12)18-13-8-9-19(2,3)22-17(13)7-6-16(18)20-15/h4-10,20H,1-3H3
InChIKeyKGSIEHHCVVSUOW-UHFFFAOYSA-N
XLogP4.71
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-7H-pyrano[2,3-c]carbazol-10-yl)ethanone?
The IUPAC name of 1-(3,3-dimethyl-7H-pyrano[2,3-c]carbazol-10-yl)ethanone (CID 162900812) is 1-(3,3-dimethyl-7H-pyrano[2,3-c]carbazol-10-yl)ethanone.
What is the SMILES notation for 1-(3,3-dimethyl-7H-pyrano[2,3-c]carbazol-10-yl)ethanone?
The canonical SMILES for 1-(3,3-dimethyl-7H-pyrano[2,3-c]carbazol-10-yl)ethanone is CC(=O)c1ccc2[nH]c3ccc4c(c3c2c1)C=CC(C)(C)O4.
What is the InChIKey of 1-(3,3-dimethyl-7H-pyrano[2,3-c]carbazol-10-yl)ethanone?
The InChIKey is KGSIEHHCVVSUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-11(21)12-4-5-15-14(10-12)18-13-8-9-19(2,3)22-17(13)7-6-16(18)20-15/h4-10,20H,1-3H3.
What are the key properties of 1-(3,3-dimethyl-7H-pyrano[2,3-c]carbazol-10-yl)ethanone?
1-(3,3-dimethyl-7H-pyrano[2,3-c]carbazol-10-yl)ethanone has a molecular weight of 291.35 g/mol, XLogP of 4.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-7H-pyrano[2,3-c]carbazol-10-yl)ethanone is sourced from PubChem (CID 162900812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).