N-(2-oxo-2-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylethyl)prop-2-enamide

C17H20N2O2 — CID 154871064

IUPACN-(2-oxo-2-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylethyl)prop-2-enamide
SMILESC=CC(=O)NCC(=O)N1Cc2ccccc2C2(CCC2)C1
InChIInChI=1S/C17H20N2O2/c1-2-15(20)18-10-16(21)19-11-13-6-3-4-7-14(13)17(12-19)8-5-9-17/h2-4,6-7H,1,5,8-12H2,(H,18,20)
InChIKeyGYQMBTIDJMASLN-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.75
Rot. Bonds3

About N-(2-oxo-2-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylethyl)prop-2-enamide

N-(2-oxo-2-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylethyl)prop-2-enamide (PubChem CID 154871064) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2-oxo-2-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-oxo-2-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylethyl)prop-2-enamide
PubChem CID154871064
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(2-oxo-2-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylethyl)prop-2-enamide
SMILESC=CC(=O)NCC(=O)N1Cc2ccccc2C2(CCC2)C1
InChIInChI=1S/C17H20N2O2/c1-2-15(20)18-10-16(21)19-11-13-6-3-4-7-14(13)17(12-19)8-5-9-17/h2-4,6-7H,1,5,8-12H2,(H,18,20)
InChIKeyGYQMBTIDJMASLN-UHFFFAOYSA-N
XLogP1.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-ylethanone
CID 166408836
(3S)-3-(2-oxo-2-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 166248882
4-(spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carbonylamino)butanoic acid
CID 122022780
(3S)-3-amino-1-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]butan-1-one
CID 129466127
(3-chlorophenyl)-(1'-prop-2-enylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)methanone
CID 59003922
spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide
CID 127437163
3-(spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-carbonyl)piperidine-1-carboxamide
CID 167959767
1-pyrazol-1-yl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropan-2-ol
CID 126808771
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110922752
2-amino-N-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]acetamide
CID 55049954
2-chloro-N-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]acetamide
CID 166408853
ethyl 4-(2-pentanoylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 58089527

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-2-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylethyl)prop-2-enamide?
The IUPAC name of N-(2-oxo-2-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylethyl)prop-2-enamide (CID 154871064) is N-(2-oxo-2-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylethyl)prop-2-enamide.
What is the SMILES notation for N-(2-oxo-2-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylethyl)prop-2-enamide?
The canonical SMILES for N-(2-oxo-2-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylethyl)prop-2-enamide is C=CC(=O)NCC(=O)N1Cc2ccccc2C2(CCC2)C1.
What is the InChIKey of N-(2-oxo-2-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylethyl)prop-2-enamide?
The InChIKey is GYQMBTIDJMASLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-15(20)18-10-16(21)19-11-13-6-3-4-7-14(13)17(12-19)8-5-9-17/h2-4,6-7H,1,5,8-12H2,(H,18,20).
What are the key properties of N-(2-oxo-2-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylethyl)prop-2-enamide?
N-(2-oxo-2-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylethyl)prop-2-enamide has a molecular weight of 284.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-2-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylethyl)prop-2-enamide is sourced from PubChem (CID 154871064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).