(10S,10aR)-10-(aminomethyl)-10a-phenyl-1,2,3,10-tetrahydropyrrolo[1,2-b]isoquinolin-5-one

C19H20N2O — CID 10402085

IUPAC(10S,10aR)-10-(aminomethyl)-10a-phenyl-1,2,3,10-tetrahydropyrrolo[1,2-b]isoquinolin-5-one
SMILESNC[C@@H]1c2ccccc2C(=O)N2CCC[C@]12c1ccccc1
InChIInChI=1S/C19H20N2O/c20-13-17-15-9-4-5-10-16(15)18(22)21-12-6-11-19(17,21)14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13,20H2/t17-,19+/m1/s1
InChIKeyCHVCEFMONGWEKM-MJGOQNOKSA-N
MW292.38 g/mol
LogP2.87
Rot. Bonds2

About (10S,10aR)-10-(aminomethyl)-10a-phenyl-1,2,3,10-tetrahydropyrrolo[1,2-b]isoquinolin-5-one

(10S,10aR)-10-(aminomethyl)-10a-phenyl-1,2,3,10-tetrahydropyrrolo[1,2-b]isoquinolin-5-one (PubChem CID 10402085) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is (10S,10aR)-10-(aminomethyl)-10a-phenyl-1,2,3,10-tetrahydropyrrolo[1,2-b]isoquinolin-5-one.

Molecular Properties

Compound Name(10S,10aR)-10-(aminomethyl)-10a-phenyl-1,2,3,10-tetrahydropyrrolo[1,2-b]isoquinolin-5-one
PubChem CID10402085
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name(10S,10aR)-10-(aminomethyl)-10a-phenyl-1,2,3,10-tetrahydropyrrolo[1,2-b]isoquinolin-5-one
SMILESNC[C@@H]1c2ccccc2C(=O)N2CCC[C@]12c1ccccc1
InChIInChI=1S/C19H20N2O/c20-13-17-15-9-4-5-10-16(15)18(22)21-12-6-11-19(17,21)14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13,20H2/t17-,19+/m1/s1
InChIKeyCHVCEFMONGWEKM-MJGOQNOKSA-N
XLogP2.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (10S,10aR)-10-(aminomethyl)-10a-phenyl-1,2,3,10-tetrahydropyrrolo[1,2-b]isoquinolin-5-one with MolForge

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Related Compounds

4-(aminomethyl)-3,3-dimethyl-2-phenyl-4H-isoquinolin-1-one
CID 11778428
11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one
CID 3800854
9b-(3-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one
CID 67917975
2-(6-oxo-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindol-2-yl)acetic acid
CID 12901798
(3R)-3-(aminomethyl)-2-[[(2R)-oxolan-2-yl]methyl]-3H-isoindol-1-one
CID 125450679
(6aR)-6a-benzyl-5-propan-2-yl-8,9-dihydro-7H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 101374992
(10S,10aR)-10-(4-methylpiperazine-1-carbonyl)-10a-phenyl-3,10-dihydro-2H-[1,3]oxazolo[3,2-b]isoquinolin-5-one
CID 101447196
2-[1,3-dioxo-2-[(1-phenylcyclopropyl)methyl]-4H-isoquinolin-4-yl]acetic acid
CID 110457572
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-phenylpiperidine-4-carbonitrile
CID 57122337
1-[2-(4-methylpiperazin-1-yl)ethyl]-3,9b-dihydro-2H-imidazo[1,2-b]isoindol-5-one
CID 21398417
6a-ethyl-6,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 167089042
9H-fluoren-9-ylmethyl 8-oxo-1-azaspiro[4.5]decane-1-carboxylate
CID 58574221

Frequently Asked Questions

What is the IUPAC name of (10S,10aR)-10-(aminomethyl)-10a-phenyl-1,2,3,10-tetrahydropyrrolo[1,2-b]isoquinolin-5-one?
The IUPAC name of (10S,10aR)-10-(aminomethyl)-10a-phenyl-1,2,3,10-tetrahydropyrrolo[1,2-b]isoquinolin-5-one (CID 10402085) is (10S,10aR)-10-(aminomethyl)-10a-phenyl-1,2,3,10-tetrahydropyrrolo[1,2-b]isoquinolin-5-one.
What is the SMILES notation for (10S,10aR)-10-(aminomethyl)-10a-phenyl-1,2,3,10-tetrahydropyrrolo[1,2-b]isoquinolin-5-one?
The canonical SMILES for (10S,10aR)-10-(aminomethyl)-10a-phenyl-1,2,3,10-tetrahydropyrrolo[1,2-b]isoquinolin-5-one is NC[C@@H]1c2ccccc2C(=O)N2CCC[C@]12c1ccccc1.
What is the InChIKey of (10S,10aR)-10-(aminomethyl)-10a-phenyl-1,2,3,10-tetrahydropyrrolo[1,2-b]isoquinolin-5-one?
The InChIKey is CHVCEFMONGWEKM-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H20N2O/c20-13-17-15-9-4-5-10-16(15)18(22)21-12-6-11-19(17,21)14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13,20H2/t17-,19+/m1/s1.
What are the key properties of (10S,10aR)-10-(aminomethyl)-10a-phenyl-1,2,3,10-tetrahydropyrrolo[1,2-b]isoquinolin-5-one?
(10S,10aR)-10-(aminomethyl)-10a-phenyl-1,2,3,10-tetrahydropyrrolo[1,2-b]isoquinolin-5-one has a molecular weight of 292.38 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,10aR)-10-(aminomethyl)-10a-phenyl-1,2,3,10-tetrahydropyrrolo[1,2-b]isoquinolin-5-one is sourced from PubChem (CID 10402085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).