(2S)-2-methyl-2,3-dihydropyrrolo[2,3-f]indole

C11H10N2 — CID 57252938

IUPAC(2S)-2-methyl-2,3-dihydropyrrolo[2,3-f]indole
SMILESC[C@H]1Cc2cc3c(cc2=N1)C=CN=3
InChIInChI=1S/C11H10N2/c1-7-4-9-6-10-8(2-3-12-10)5-11(9)13-7/h2-3,5-7H,4H2,1H3/t7-/m0/s1
InChIKeyOMFFMBPYTYQBGJ-ZETCQYMHSA-N
MW170.21 g/mol
LogP0.85
Rot. Bonds

About (2S)-2-methyl-2,3-dihydropyrrolo[2,3-f]indole

(2S)-2-methyl-2,3-dihydropyrrolo[2,3-f]indole (PubChem CID 57252938) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (2S)-2-methyl-2,3-dihydropyrrolo[2,3-f]indole.

Molecular Properties

Compound Name(2S)-2-methyl-2,3-dihydropyrrolo[2,3-f]indole
PubChem CID57252938
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Name(2S)-2-methyl-2,3-dihydropyrrolo[2,3-f]indole
SMILESC[C@H]1Cc2cc3c(cc2=N1)C=CN=3
InChIInChI=1S/C11H10N2/c1-7-4-9-6-10-8(2-3-12-10)5-11(9)13-7/h2-3,5-7H,4H2,1H3/t7-/m0/s1
InChIKeyOMFFMBPYTYQBGJ-ZETCQYMHSA-N
XLogP0.85
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2,3-dihydropyrrolo[2,3-f]indole?
The IUPAC name of (2S)-2-methyl-2,3-dihydropyrrolo[2,3-f]indole (CID 57252938) is (2S)-2-methyl-2,3-dihydropyrrolo[2,3-f]indole.
What is the SMILES notation for (2S)-2-methyl-2,3-dihydropyrrolo[2,3-f]indole?
The canonical SMILES for (2S)-2-methyl-2,3-dihydropyrrolo[2,3-f]indole is C[C@H]1Cc2cc3c(cc2=N1)C=CN=3.
What is the InChIKey of (2S)-2-methyl-2,3-dihydropyrrolo[2,3-f]indole?
The InChIKey is OMFFMBPYTYQBGJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H10N2/c1-7-4-9-6-10-8(2-3-12-10)5-11(9)13-7/h2-3,5-7H,4H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-methyl-2,3-dihydropyrrolo[2,3-f]indole?
(2S)-2-methyl-2,3-dihydropyrrolo[2,3-f]indole has a molecular weight of 170.21 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2,3-dihydropyrrolo[2,3-f]indole is sourced from PubChem (CID 57252938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).