N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclopropanecarboxamide

C14H16N2O2 — CID 110405697

IUPACN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclopropanecarboxamide
SMILESCC1(C)C(=O)Nc2ccc(NC(=O)C3CC3)cc21
InChIInChI=1S/C14H16N2O2/c1-14(2)10-7-9(15-12(17)8-3-4-8)5-6-11(10)16-13(14)18/h5-8H,3-4H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyDHUAUYCMIJSDEP-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.26
Rot. Bonds2

About N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclopropanecarboxamide

N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclopropanecarboxamide (PubChem CID 110405697) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclopropanecarboxamide
PubChem CID110405697
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclopropanecarboxamide
SMILESCC1(C)C(=O)Nc2ccc(NC(=O)C3CC3)cc21
InChIInChI=1S/C14H16N2O2/c1-14(2)10-7-9(15-12(17)8-3-4-8)5-6-11(10)16-13(14)18/h5-8H,3-4H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyDHUAUYCMIJSDEP-UHFFFAOYSA-N
XLogP2.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)cyclobutanecarboxamide
CID 75361169
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 91956078
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)pyrazine-2-carboxamide
CID 110667759
(2E)-2-benzylidene-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)butanamide
CID 110618679
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110612894
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylsulfonylbenzamide
CID 110619936
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopropanecarboxamide
CID 9146242
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)cyclohexanecarboxamide
CID 110405857
1-acetyl-N-(1,3,3-trimethyl-2-oxoindol-5-yl)piperidine-4-carboxamide
CID 110742190
N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanecarboxamide
CID 162658656
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide
CID 110619938

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclopropanecarboxamide?
The IUPAC name of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclopropanecarboxamide (CID 110405697) is N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclopropanecarboxamide is CC1(C)C(=O)Nc2ccc(NC(=O)C3CC3)cc21.
What is the InChIKey of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclopropanecarboxamide?
The InChIKey is DHUAUYCMIJSDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-14(2)10-7-9(15-12(17)8-3-4-8)5-6-11(10)16-13(14)18/h5-8H,3-4H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclopropanecarboxamide?
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclopropanecarboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclopropanecarboxamide is sourced from PubChem (CID 110405697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).