1,1-dimethyl-2,3-dihydrobenzo[e]indole-2-carboxamide

C15H16N2O — CID 175264212

IUPAC1,1-dimethyl-2,3-dihydrobenzo[e]indole-2-carboxamide
SMILESCC1(C)c2c(ccc3ccccc23)NC1C(N)=O
InChIInChI=1S/C15H16N2O/c1-15(2)12-10-6-4-3-5-9(10)7-8-11(12)17-13(15)14(16)18/h3-8,13,17H,1-2H3,(H2,16,18)
InChIKeyRBALOVHFZTVFKH-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.40
Rot. Bonds1

About 1,1-dimethyl-2,3-dihydrobenzo[e]indole-2-carboxamide

1,1-dimethyl-2,3-dihydrobenzo[e]indole-2-carboxamide (PubChem CID 175264212) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1,1-dimethyl-2,3-dihydrobenzo[e]indole-2-carboxamide.

Molecular Properties

Compound Name1,1-dimethyl-2,3-dihydrobenzo[e]indole-2-carboxamide
PubChem CID175264212
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1,1-dimethyl-2,3-dihydrobenzo[e]indole-2-carboxamide
SMILESCC1(C)c2c(ccc3ccccc23)NC1C(N)=O
InChIInChI=1S/C15H16N2O/c1-15(2)12-10-6-4-3-5-9(10)7-8-11(12)17-13(15)14(16)18/h3-8,13,17H,1-2H3,(H2,16,18)
InChIKeyRBALOVHFZTVFKH-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-hydroxy-1-(trifluoromethyl)-3H-benzo[e]indol-2-one
CID 7689726
(2Z)-2-[(E)-3-(1,1-dimethyl-2,3-dihydrobenzo[e]indol-2-yl)prop-2-enylidene]-1,1,3-trimethylbenzo[e]indole
CID 163535578
(2S)-1-[(2S)-2-aminobutanoyl]-2,3-dihydro-1H-benzo[e]indole-2-carboxylic acid
CID 20716522
1,1-dimethylbenzo[e]indole-2-carboxylic acid;hydrochloride
CID 69037883
carbonic acid;1-methylnaphthalene
CID 66808059
1,2,2-trimethyl-1,3-dihydrobenzo[e]indole
CID 66825779
benzo[g][1,2,3]benzodioxazole-3-carboxamide
CID 142673238
CID 129133768
CID 129133768
sulfuric acid;bis(1,1,2,3-tetramethyl-2H-benzo[e]indole)
CID 173168480
4-(naphthalen-1-ylmethyl)piperidine-2-carboxamide
CID 106778520
(3-amino-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
CID 115275261
1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
CID 142687635

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2,3-dihydrobenzo[e]indole-2-carboxamide?
The IUPAC name of 1,1-dimethyl-2,3-dihydrobenzo[e]indole-2-carboxamide (CID 175264212) is 1,1-dimethyl-2,3-dihydrobenzo[e]indole-2-carboxamide.
What is the SMILES notation for 1,1-dimethyl-2,3-dihydrobenzo[e]indole-2-carboxamide?
The canonical SMILES for 1,1-dimethyl-2,3-dihydrobenzo[e]indole-2-carboxamide is CC1(C)c2c(ccc3ccccc23)NC1C(N)=O.
What is the InChIKey of 1,1-dimethyl-2,3-dihydrobenzo[e]indole-2-carboxamide?
The InChIKey is RBALOVHFZTVFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-15(2)12-10-6-4-3-5-9(10)7-8-11(12)17-13(15)14(16)18/h3-8,13,17H,1-2H3,(H2,16,18).
What are the key properties of 1,1-dimethyl-2,3-dihydrobenzo[e]indole-2-carboxamide?
1,1-dimethyl-2,3-dihydrobenzo[e]indole-2-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2,3-dihydrobenzo[e]indole-2-carboxamide is sourced from PubChem (CID 175264212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).