(1-butylindol-3-yl)-naphthalen-1-ylmethanone

C23H21NO — CID 10471670

IUPAC(1-butylindol-3-yl)-naphthalen-1-ylmethanone
SMILESCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3
InChIKeyVCHHHSMPMLNVGS-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.83
Rot. Bonds5

About (1-butylindol-3-yl)-naphthalen-1-ylmethanone

(1-butylindol-3-yl)-naphthalen-1-ylmethanone (PubChem CID 10471670) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is (1-butylindol-3-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(1-butylindol-3-yl)-naphthalen-1-ylmethanone
PubChem CID10471670
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name(1-butylindol-3-yl)-naphthalen-1-ylmethanone
SMILESCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3
InChIKeyVCHHHSMPMLNVGS-UHFFFAOYSA-N
XLogP5.83
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-butylindol-3-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (1-butylindol-3-yl)-naphthalen-1-ylmethanone (CID 10471670) is (1-butylindol-3-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (1-butylindol-3-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (1-butylindol-3-yl)-naphthalen-1-ylmethanone is CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of (1-butylindol-3-yl)-naphthalen-1-ylmethanone?
The InChIKey is VCHHHSMPMLNVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3.
What are the key properties of (1-butylindol-3-yl)-naphthalen-1-ylmethanone?
(1-butylindol-3-yl)-naphthalen-1-ylmethanone has a molecular weight of 327.43 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylindol-3-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 10471670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).