1-[[1-(aminomethyl)cyclopropyl]methyl]-5-(methylamino)-3H-indol-2-one

C14H19N3O — CID 115243978

IUPAC1-[[1-(aminomethyl)cyclopropyl]methyl]-5-(methylamino)-3H-indol-2-one
SMILESCNc1ccc2c(c1)CC(=O)N2CC1(CN)CC1
InChIInChI=1S/C14H19N3O/c1-16-11-2-3-12-10(6-11)7-13(18)17(12)9-14(8-15)4-5-14/h2-3,6,16H,4-5,7-9,15H2,1H3
InChIKeyFZGFCJMJQAQAJH-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.36
Rot. Bonds4

About 1-[[1-(aminomethyl)cyclopropyl]methyl]-5-(methylamino)-3H-indol-2-one

1-[[1-(aminomethyl)cyclopropyl]methyl]-5-(methylamino)-3H-indol-2-one (PubChem CID 115243978) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[[1-(aminomethyl)cyclopropyl]methyl]-5-(methylamino)-3H-indol-2-one.

Molecular Properties

Compound Name1-[[1-(aminomethyl)cyclopropyl]methyl]-5-(methylamino)-3H-indol-2-one
PubChem CID115243978
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[[1-(aminomethyl)cyclopropyl]methyl]-5-(methylamino)-3H-indol-2-one
SMILESCNc1ccc2c(c1)CC(=O)N2CC1(CN)CC1
InChIInChI=1S/C14H19N3O/c1-16-11-2-3-12-10(6-11)7-13(18)17(12)9-14(8-15)4-5-14/h2-3,6,16H,4-5,7-9,15H2,1H3
InChIKeyFZGFCJMJQAQAJH-UHFFFAOYSA-N
XLogP1.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-5-(methylamino)-3H-indol-2-one
CID 115225548
1-ethyl-5-(methylamino)-3H-indol-2-one
CID 82551072
(E)-4-[5-(methylamino)-2-oxo-3H-indol-1-yl]but-2-enoic acid
CID 115236990
1-(4-aminobutanoyl)-5-(methylamino)-3H-indol-2-one
CID 115155191
N-(1-ethyl-2-oxo-3H-indol-5-yl)acetamide
CID 20933157
1-(2-amino-2-methylpropyl)-6-(methylamino)-3,4-dihydroquinolin-2-one
CID 115135758
6-(methylamino)-1-(3-oxobutyl)-3,4-dihydroquinolin-2-one
CID 115235513
5-(methylamino)-2-oxo-3H-indole-1-carbonyl cyanide
CID 115172000
6-(methylamino)-1-(3-sulfanylpropyl)-3,4-dihydroquinolin-2-one
CID 115224728
5-(1-amino-2-methylpropan-2-yl)-1-(hydrazinylmethyl)-3H-indol-2-one
CID 115261432
5-amino-1-[4-(methylamino)phenyl]-3H-indol-2-one
CID 117041354
3-[5-(methylamino)-2-oxo-3H-indol-1-yl]cyclobutane-1-carboxylic acid
CID 117042878

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(aminomethyl)cyclopropyl]methyl]-5-(methylamino)-3H-indol-2-one?
The IUPAC name of 1-[[1-(aminomethyl)cyclopropyl]methyl]-5-(methylamino)-3H-indol-2-one (CID 115243978) is 1-[[1-(aminomethyl)cyclopropyl]methyl]-5-(methylamino)-3H-indol-2-one.
What is the SMILES notation for 1-[[1-(aminomethyl)cyclopropyl]methyl]-5-(methylamino)-3H-indol-2-one?
The canonical SMILES for 1-[[1-(aminomethyl)cyclopropyl]methyl]-5-(methylamino)-3H-indol-2-one is CNc1ccc2c(c1)CC(=O)N2CC1(CN)CC1.
What is the InChIKey of 1-[[1-(aminomethyl)cyclopropyl]methyl]-5-(methylamino)-3H-indol-2-one?
The InChIKey is FZGFCJMJQAQAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-16-11-2-3-12-10(6-11)7-13(18)17(12)9-14(8-15)4-5-14/h2-3,6,16H,4-5,7-9,15H2,1H3.
What are the key properties of 1-[[1-(aminomethyl)cyclopropyl]methyl]-5-(methylamino)-3H-indol-2-one?
1-[[1-(aminomethyl)cyclopropyl]methyl]-5-(methylamino)-3H-indol-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(aminomethyl)cyclopropyl]methyl]-5-(methylamino)-3H-indol-2-one is sourced from PubChem (CID 115243978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).