3-(1-cyclopropylethylamino)-5-methyl-1,3-dihydroindol-2-one

C14H18N2O — CID 43533291

IUPAC3-(1-cyclopropylethylamino)-5-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)C(NC(C)C1CC1)C(=O)N2
InChIInChI=1S/C14H18N2O/c1-8-3-6-12-11(7-8)13(14(17)16-12)15-9(2)10-4-5-10/h3,6-7,9-10,13,15H,4-5H2,1-2H3,(H,16,17)
InChIKeyUSNUNWALWWSOFC-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.38
Rot. Bonds3

About 3-(1-cyclopropylethylamino)-5-methyl-1,3-dihydroindol-2-one

3-(1-cyclopropylethylamino)-5-methyl-1,3-dihydroindol-2-one (PubChem CID 43533291) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(1-cyclopropylethylamino)-5-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(1-cyclopropylethylamino)-5-methyl-1,3-dihydroindol-2-one
PubChem CID43533291
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-(1-cyclopropylethylamino)-5-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)C(NC(C)C1CC1)C(=O)N2
InChIInChI=1S/C14H18N2O/c1-8-3-6-12-11(7-8)13(14(17)16-12)15-9(2)10-4-5-10/h3,6-7,9-10,13,15H,4-5H2,1-2H3,(H,16,17)
InChIKeyUSNUNWALWWSOFC-UHFFFAOYSA-N
XLogP2.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-cyclopropylethylamino)-5,7-dimethyl-1,3-dihydroindol-2-one
CID 114994354
5-methyl-3-[(2-methylcyclohexyl)amino]-1,3-dihydroindol-2-one
CID 43194966
3-[1-(2-chlorophenyl)ethylamino]-5-methyl-1,3-dihydroindol-2-one
CID 43108405
5-methyl-3-(1-morpholin-4-ylpropan-2-ylamino)-1,3-dihydroindol-2-one
CID 43675782
N-cyclopropyl-2-[(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]acetamide
CID 43568273
methyl 4-methyl-2-[(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]pentanoate
CID 43688975
N-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 9178373
5-methyl-3-(2-propan-2-ylanilino)-1,3-dihydroindol-2-one
CID 43192468
3-(3,5-dichloroanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43098558
3-(4-tert-butylanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43823625
3-[[2-(dimethylamino)-4-methylpentyl]amino]-5-methyl-1,3-dihydroindol-2-one
CID 43207929
3-(3,5-dimethoxyanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43824323

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylethylamino)-5-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-(1-cyclopropylethylamino)-5-methyl-1,3-dihydroindol-2-one (CID 43533291) is 3-(1-cyclopropylethylamino)-5-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(1-cyclopropylethylamino)-5-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(1-cyclopropylethylamino)-5-methyl-1,3-dihydroindol-2-one is Cc1ccc2c(c1)C(NC(C)C1CC1)C(=O)N2.
What is the InChIKey of 3-(1-cyclopropylethylamino)-5-methyl-1,3-dihydroindol-2-one?
The InChIKey is USNUNWALWWSOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-8-3-6-12-11(7-8)13(14(17)16-12)15-9(2)10-4-5-10/h3,6-7,9-10,13,15H,4-5H2,1-2H3,(H,16,17).
What are the key properties of 3-(1-cyclopropylethylamino)-5-methyl-1,3-dihydroindol-2-one?
3-(1-cyclopropylethylamino)-5-methyl-1,3-dihydroindol-2-one has a molecular weight of 230.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylethylamino)-5-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 43533291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).