5-[(1-aminocyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one

C14H18N2O — CID 117332888

IUPAC5-[(1-aminocyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(CC3(N)CC3)cc21
InChIInChI=1S/C14H18N2O/c1-13(2)10-7-9(8-14(15)5-6-14)3-4-11(10)16-12(13)17/h3-4,7H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyRAVGAPZPHJLCQR-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.95
Rot. Bonds2

About 5-[(1-aminocyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one

5-[(1-aminocyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one (PubChem CID 117332888) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[(1-aminocyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-[(1-aminocyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one
PubChem CID117332888
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5-[(1-aminocyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(CC3(N)CC3)cc21
InChIInChI=1S/C14H18N2O/c1-13(2)10-7-9(8-14(15)5-6-14)3-4-11(10)16-12(13)17/h3-4,7H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyRAVGAPZPHJLCQR-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(bromomethyl)-3,3-dimethyl-1H-indol-2-one
CID 80500983
5-(2-aminopropyl)-3,3-dimethyl-1H-indol-2-one
CID 82190459
5-(3-amino-2-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one
CID 116997019
3,3-dimethyl-5-[4-(methylamino)butyl]-1H-indol-2-one
CID 96662884
3,3-dimethyl-5-(piperazin-1-ylmethyl)-1H-indol-2-one
CID 82484213
3,3-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-indol-2-one
CID 110770924
N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]propane-1-sulfonamide
CID 110784036
5-(5-amino-5-methylhexyl)-3,3-dimethyl-1H-indol-2-one
CID 96669855
3,3-dimethyl-5-[2-(propan-2-ylamino)propyl]-1H-indol-2-one
CID 82484806
5-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,3-dimethyl-1H-indol-2-one
CID 110801562
5-[4-(ethylamino)butyl]-3,3-dimethyl-1H-indol-2-one
CID 98017086
5-(1-amino-2-hydroxypropan-2-yl)-3,3-dimethyl-1H-indol-2-one
CID 82475951

Frequently Asked Questions

What is the IUPAC name of 5-[(1-aminocyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-[(1-aminocyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one (CID 117332888) is 5-[(1-aminocyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-[(1-aminocyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-[(1-aminocyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2ccc(CC3(N)CC3)cc21.
What is the InChIKey of 5-[(1-aminocyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one?
The InChIKey is RAVGAPZPHJLCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-13(2)10-7-9(8-14(15)5-6-14)3-4-11(10)16-12(13)17/h3-4,7H,5-6,8,15H2,1-2H3,(H,16,17).
What are the key properties of 5-[(1-aminocyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one?
5-[(1-aminocyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one has a molecular weight of 230.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-aminocyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 117332888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).