3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one

C16H20N2O — CID 2818489

IUPAC3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one
SMILESCN(C)CC1CCc2c(c3ccccc3n2C)C1=O
InChIInChI=1S/C16H20N2O/c1-17(2)10-11-8-9-14-15(16(11)19)12-6-4-5-7-13(12)18(14)3/h4-7,11H,8-10H2,1-3H3
InChIKeyBSGMMRNLRWFVHL-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.48
Rot. Bonds2

About 3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one

3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one (PubChem CID 2818489) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one
PubChem CID2818489
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one
SMILESCN(C)CC1CCc2c(c3ccccc3n2C)C1=O
InChIInChI=1S/C16H20N2O/c1-17(2)10-11-8-9-14-15(16(11)19)12-6-4-5-7-13(12)18(14)3/h4-7,11H,8-10H2,1-3H3
InChIKeyBSGMMRNLRWFVHL-UHFFFAOYSA-N
XLogP2.48
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one?
The IUPAC name of 3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one (CID 2818489) is 3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one.
What is the SMILES notation for 3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one?
The canonical SMILES for 3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one is CN(C)CC1CCc2c(c3ccccc3n2C)C1=O.
What is the InChIKey of 3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one?
The InChIKey is BSGMMRNLRWFVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-17(2)10-11-8-9-14-15(16(11)19)12-6-4-5-7-13(12)18(14)3/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one?
3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one has a molecular weight of 256.35 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one is sourced from PubChem (CID 2818489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).