6-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-nitro-1,3-dihydroindol-2-one

C14H18N4O3 — CID 63267531

IUPAC6-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-nitro-1,3-dihydroindol-2-one
SMILESCNCC1CCN(c2cc3c(cc2[N+](=O)[O-])CC(=O)N3)C1
InChIInChI=1S/C14H18N4O3/c1-15-7-9-2-3-17(8-9)12-6-11-10(5-14(19)16-11)4-13(12)18(20)21/h4,6,9,15H,2-3,5,7-8H2,1H3,(H,16,19)
InChIKeyZJKNWZYJKXNVDQ-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.14
Rot. Bonds4

About 6-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-nitro-1,3-dihydroindol-2-one

6-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-nitro-1,3-dihydroindol-2-one (PubChem CID 63267531) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-nitro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-nitro-1,3-dihydroindol-2-one
PubChem CID63267531
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name6-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-nitro-1,3-dihydroindol-2-one
SMILESCNCC1CCN(c2cc3c(cc2[N+](=O)[O-])CC(=O)N3)C1
InChIInChI=1S/C14H18N4O3/c1-15-7-9-2-3-17(8-9)12-6-11-10(5-14(19)16-11)4-13(12)18(20)21/h4,6,9,15H,2-3,5,7-8H2,1H3,(H,16,19)
InChIKeyZJKNWZYJKXNVDQ-UHFFFAOYSA-N
XLogP1.14
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[(3R)-3-aminopiperidin-1-yl]-5-nitro-1,3-dihydroindol-2-one
CID 102986412
N-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-nitrobenzamide
CID 82993268
6-nitro-7-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 133326272
6-[(1-methylpiperidin-4-yl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 43451844
5-amino-6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one
CID 114796921
N-methyl-1-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]methanamine
CID 61205011
1-[1-(5-bromo-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
CID 65343117
1-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
CID 63597808
6-cyclopropyl-5-nitro-1,3-dihydroindol-2-one
CID 69464158
1-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
CID 63249355
6-(4-aminopiperidin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43556906
6-[(3R)-3-aminopiperidin-1-yl]-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 102986194

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-nitro-1,3-dihydroindol-2-one?
The IUPAC name of 6-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-nitro-1,3-dihydroindol-2-one (CID 63267531) is 6-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-nitro-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-nitro-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-nitro-1,3-dihydroindol-2-one is CNCC1CCN(c2cc3c(cc2[N+](=O)[O-])CC(=O)N3)C1.
What is the InChIKey of 6-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-nitro-1,3-dihydroindol-2-one?
The InChIKey is ZJKNWZYJKXNVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-15-7-9-2-3-17(8-9)12-6-11-10(5-14(19)16-11)4-13(12)18(20)21/h4,6,9,15H,2-3,5,7-8H2,1H3,(H,16,19).
What are the key properties of 6-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-nitro-1,3-dihydroindol-2-one?
6-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-nitro-1,3-dihydroindol-2-one has a molecular weight of 290.32 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-nitro-1,3-dihydroindol-2-one is sourced from PubChem (CID 63267531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).