N-[[(1'-methyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)amino]methyl]prop-2-enamide

C15H17N3O2 — CID 176996795

IUPACN-[[(1'-methyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)amino]methyl]prop-2-enamide
SMILESC=CC(=O)NCNc1ccc2c(c1)N(C)C(=O)C21CC1
InChIInChI=1S/C15H17N3O2/c1-3-13(19)17-9-16-10-4-5-11-12(8-10)18(2)14(20)15(11)6-7-15/h3-5,8,16H,1,6-7,9H2,2H3,(H,17,19)
InChIKeyDTRZVKLLXHQXLQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.37
Rot. Bonds4

About N-[[(1'-methyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)amino]methyl]prop-2-enamide

N-[[(1'-methyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)amino]methyl]prop-2-enamide (PubChem CID 176996795) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[[(1'-methyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)amino]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[(1'-methyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)amino]methyl]prop-2-enamide
PubChem CID176996795
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[[(1'-methyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)amino]methyl]prop-2-enamide
SMILESC=CC(=O)NCNc1ccc2c(c1)N(C)C(=O)C21CC1
InChIInChI=1S/C15H17N3O2/c1-3-13(19)17-9-16-10-4-5-11-12(8-10)18(2)14(20)15(11)6-7-15/h3-5,8,16H,1,6-7,9H2,2H3,(H,17,19)
InChIKeyDTRZVKLLXHQXLQ-UHFFFAOYSA-N
XLogP1.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)carbamic acid
CID 146524669
1,3,3-trimethyl-6-[(1-prop-2-enoylpyrrolidin-3-yl)amino]indol-2-one
CID 176997011
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
1'-methyl-5'-(methylamino)spiro[cyclobutane-1,3'-indole]-2'-one
CID 83853133
6-(2,3-dihydroxypropylamino)-1,3,3-trimethylindol-2-one
CID 168595777
formic acid;1-methyl-5-[(1-methylpyrazol-4-yl)methylamino]spiro[indole-3,4'-oxane]-2-one
CID 155869129
1',5'-dimethylspiro[cyclopentane-1,3'-indole]-2'-one;1',5'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1',6'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1,3,3,5-tetramethylindol-2-one
CID 161024534
6-bromo-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[indole-3,4'-piperidine]-2-one
CID 162705629
6-[[3-(3-chloro-2-methylphenyl)-1-prop-2-enoylpyrrolidin-3-yl]amino]-1,3,3-trimethylindol-2-one
CID 176997319
1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
tert-butyl N-[3-(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)propyl]carbamate
CID 171828857
8'-chloro-1'-methylspiro[cyclopropane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one
CID 167311008

Frequently Asked Questions

What is the IUPAC name of N-[[(1'-methyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)amino]methyl]prop-2-enamide?
The IUPAC name of N-[[(1'-methyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)amino]methyl]prop-2-enamide (CID 176996795) is N-[[(1'-methyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)amino]methyl]prop-2-enamide.
What is the SMILES notation for N-[[(1'-methyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)amino]methyl]prop-2-enamide?
The canonical SMILES for N-[[(1'-methyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)amino]methyl]prop-2-enamide is C=CC(=O)NCNc1ccc2c(c1)N(C)C(=O)C21CC1.
What is the InChIKey of N-[[(1'-methyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)amino]methyl]prop-2-enamide?
The InChIKey is DTRZVKLLXHQXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-13(19)17-9-16-10-4-5-11-12(8-10)18(2)14(20)15(11)6-7-15/h3-5,8,16H,1,6-7,9H2,2H3,(H,17,19).
What are the key properties of N-[[(1'-methyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)amino]methyl]prop-2-enamide?
N-[[(1'-methyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)amino]methyl]prop-2-enamide has a molecular weight of 271.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1'-methyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)amino]methyl]prop-2-enamide is sourced from PubChem (CID 176996795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).