1-methyl-3-[(Z)-2-nitrosoprop-1-enyl]indol-2-ol

C12H12N2O2 — CID 169448331

IUPAC1-methyl-3-[(Z)-2-nitrosoprop-1-enyl]indol-2-ol
SMILESC/C(=C/c1c(O)n(C)c2ccccc12)N=O
InChIInChI=1S/C12H12N2O2/c1-8(13-16)7-10-9-5-3-4-6-11(9)14(2)12(10)15/h3-7,15H,1-2H3/b8-7-
InChIKeyJLJBMORRZRZBGX-FPLPWBNLSA-N
MW216.24 g/mol
LogP3.01
Rot. Bonds2

About 1-methyl-3-[(Z)-2-nitrosoprop-1-enyl]indol-2-ol

1-methyl-3-[(Z)-2-nitrosoprop-1-enyl]indol-2-ol (PubChem CID 169448331) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-methyl-3-[(Z)-2-nitrosoprop-1-enyl]indol-2-ol.

Molecular Properties

Compound Name1-methyl-3-[(Z)-2-nitrosoprop-1-enyl]indol-2-ol
PubChem CID169448331
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-methyl-3-[(Z)-2-nitrosoprop-1-enyl]indol-2-ol
SMILESC/C(=C/c1c(O)n(C)c2ccccc12)N=O
InChIInChI=1S/C12H12N2O2/c1-8(13-16)7-10-9-5-3-4-6-11(9)14(2)12(10)15/h3-7,15H,1-2H3/b8-7-
InChIKeyJLJBMORRZRZBGX-FPLPWBNLSA-N
XLogP3.01
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(Z)-2-nitrosoprop-1-enyl]indol-2-ol?
The IUPAC name of 1-methyl-3-[(Z)-2-nitrosoprop-1-enyl]indol-2-ol (CID 169448331) is 1-methyl-3-[(Z)-2-nitrosoprop-1-enyl]indol-2-ol.
What is the SMILES notation for 1-methyl-3-[(Z)-2-nitrosoprop-1-enyl]indol-2-ol?
The canonical SMILES for 1-methyl-3-[(Z)-2-nitrosoprop-1-enyl]indol-2-ol is C/C(=C/c1c(O)n(C)c2ccccc12)N=O.
What is the InChIKey of 1-methyl-3-[(Z)-2-nitrosoprop-1-enyl]indol-2-ol?
The InChIKey is JLJBMORRZRZBGX-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8(13-16)7-10-9-5-3-4-6-11(9)14(2)12(10)15/h3-7,15H,1-2H3/b8-7-.
What are the key properties of 1-methyl-3-[(Z)-2-nitrosoprop-1-enyl]indol-2-ol?
1-methyl-3-[(Z)-2-nitrosoprop-1-enyl]indol-2-ol has a molecular weight of 216.24 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(Z)-2-nitrosoprop-1-enyl]indol-2-ol is sourced from PubChem (CID 169448331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).