1-methyl-3-nitroso-2-(1-phenylpropyl)indole

C18H18N2O — CID 155676884

IUPAC1-methyl-3-nitroso-2-(1-phenylpropyl)indole
SMILESCCC(c1ccccc1)c1c(N=O)c2ccccc2n1C
InChIInChI=1S/C18H18N2O/c1-3-14(13-9-5-4-6-10-13)18-17(19-21)15-11-7-8-12-16(15)20(18)2/h4-12,14H,3H2,1-2H3
InChIKeyXKDUJOVEEGVCDS-UHFFFAOYSA-N
MW278.36 g/mol
LogP5.12
Rot. Bonds4

About 1-methyl-3-nitroso-2-(1-phenylpropyl)indole

1-methyl-3-nitroso-2-(1-phenylpropyl)indole (PubChem CID 155676884) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-methyl-3-nitroso-2-(1-phenylpropyl)indole.

Molecular Properties

Compound Name1-methyl-3-nitroso-2-(1-phenylpropyl)indole
PubChem CID155676884
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-methyl-3-nitroso-2-(1-phenylpropyl)indole
SMILESCCC(c1ccccc1)c1c(N=O)c2ccccc2n1C
InChIInChI=1S/C18H18N2O/c1-3-14(13-9-5-4-6-10-13)18-17(19-21)15-11-7-8-12-16(15)20(18)2/h4-12,14H,3H2,1-2H3
InChIKeyXKDUJOVEEGVCDS-UHFFFAOYSA-N
XLogP5.12
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.36
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-nitroso-2-(1-phenylpropyl)indole?
The IUPAC name of 1-methyl-3-nitroso-2-(1-phenylpropyl)indole (CID 155676884) is 1-methyl-3-nitroso-2-(1-phenylpropyl)indole.
What is the SMILES notation for 1-methyl-3-nitroso-2-(1-phenylpropyl)indole?
The canonical SMILES for 1-methyl-3-nitroso-2-(1-phenylpropyl)indole is CCC(c1ccccc1)c1c(N=O)c2ccccc2n1C.
What is the InChIKey of 1-methyl-3-nitroso-2-(1-phenylpropyl)indole?
The InChIKey is XKDUJOVEEGVCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-14(13-9-5-4-6-10-13)18-17(19-21)15-11-7-8-12-16(15)20(18)2/h4-12,14H,3H2,1-2H3.
What are the key properties of 1-methyl-3-nitroso-2-(1-phenylpropyl)indole?
1-methyl-3-nitroso-2-(1-phenylpropyl)indole has a molecular weight of 278.36 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-nitroso-2-(1-phenylpropyl)indole is sourced from PubChem (CID 155676884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).