(3aR)-3a-methyl-2-methylidene-3,4-dihydropyrrolo[1,2-a]indol-1-one

C13H13NO — CID 162398530

IUPAC(3aR)-3a-methyl-2-methylidene-3,4-dihydropyrrolo[1,2-a]indol-1-one
SMILESC=C1C[C@@]2(C)Cc3ccccc3N2C1=O
InChIInChI=1S/C13H13NO/c1-9-7-13(2)8-10-5-3-4-6-11(10)14(13)12(9)15/h3-6H,1,7-8H2,2H3/t13-/m0/s1
InChIKeyHLGGQPXDVXKKLW-ZDUSSCGKSA-N
MW199.25 g/mol
LogP2.29
Rot. Bonds

About (3aR)-3a-methyl-2-methylidene-3,4-dihydropyrrolo[1,2-a]indol-1-one

(3aR)-3a-methyl-2-methylidene-3,4-dihydropyrrolo[1,2-a]indol-1-one (PubChem CID 162398530) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is (3aR)-3a-methyl-2-methylidene-3,4-dihydropyrrolo[1,2-a]indol-1-one.

Molecular Properties

Compound Name(3aR)-3a-methyl-2-methylidene-3,4-dihydropyrrolo[1,2-a]indol-1-one
PubChem CID162398530
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name(3aR)-3a-methyl-2-methylidene-3,4-dihydropyrrolo[1,2-a]indol-1-one
SMILESC=C1C[C@@]2(C)Cc3ccccc3N2C1=O
InChIInChI=1S/C13H13NO/c1-9-7-13(2)8-10-5-3-4-6-11(10)14(13)12(9)15/h3-6H,1,7-8H2,2H3/t13-/m0/s1
InChIKeyHLGGQPXDVXKKLW-ZDUSSCGKSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(3aS)-3a-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]indole
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CID 159480286
4,4-difluoro-3-iodo-1-methyl-3,5-dihydro-1-benzazepin-2-one
CID 130314014
(10bS)-10b-(4-fluorophenyl)-11H-isoindolo[2,1-a]indol-6-one
CID 135032726
(3S,10aR)-10a-hydroxy-3-(hydroxymethyl)-2-methyl-3,10-dihydropyrazino[1,2-a]indole-1,4-dione
CID 139583288
3-methylidene-2-(4-methylpiperidin-4-yl)isoindol-1-one
CID 114697546
2a-(trifluoromethyl)-2,4-dihydroazeto[1,2-a]quinoline-1,3-dione
CID 70429903
(3aR)-5',5'-dimethylspiro[2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4,2'-cyclohexane]-1',3'-dione
CID 7678233

Frequently Asked Questions

What is the IUPAC name of (3aR)-3a-methyl-2-methylidene-3,4-dihydropyrrolo[1,2-a]indol-1-one?
The IUPAC name of (3aR)-3a-methyl-2-methylidene-3,4-dihydropyrrolo[1,2-a]indol-1-one (CID 162398530) is (3aR)-3a-methyl-2-methylidene-3,4-dihydropyrrolo[1,2-a]indol-1-one.
What is the SMILES notation for (3aR)-3a-methyl-2-methylidene-3,4-dihydropyrrolo[1,2-a]indol-1-one?
The canonical SMILES for (3aR)-3a-methyl-2-methylidene-3,4-dihydropyrrolo[1,2-a]indol-1-one is C=C1C[C@@]2(C)Cc3ccccc3N2C1=O.
What is the InChIKey of (3aR)-3a-methyl-2-methylidene-3,4-dihydropyrrolo[1,2-a]indol-1-one?
The InChIKey is HLGGQPXDVXKKLW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H13NO/c1-9-7-13(2)8-10-5-3-4-6-11(10)14(13)12(9)15/h3-6H,1,7-8H2,2H3/t13-/m0/s1.
What are the key properties of (3aR)-3a-methyl-2-methylidene-3,4-dihydropyrrolo[1,2-a]indol-1-one?
(3aR)-3a-methyl-2-methylidene-3,4-dihydropyrrolo[1,2-a]indol-1-one has a molecular weight of 199.25 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-3a-methyl-2-methylidene-3,4-dihydropyrrolo[1,2-a]indol-1-one is sourced from PubChem (CID 162398530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).