naphthalen-2-yl-(1-prop-2-ynylpyrrol-2-yl)methanone

C18H13NO — CID 155907366

IUPACnaphthalen-2-yl-(1-prop-2-ynylpyrrol-2-yl)methanone
SMILESC#CCn1cccc1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H13NO/c1-2-11-19-12-5-8-17(19)18(20)16-10-9-14-6-3-4-7-15(14)13-16/h1,3-10,12-13H,11H2
InChIKeyAXRIJOKRSQSZPU-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.51
Rot. Bonds3

About naphthalen-2-yl-(1-prop-2-ynylpyrrol-2-yl)methanone

naphthalen-2-yl-(1-prop-2-ynylpyrrol-2-yl)methanone (PubChem CID 155907366) has the molecular formula C18H13NO and a molecular weight of 259.31 g/mol. Its IUPAC name is naphthalen-2-yl-(1-prop-2-ynylpyrrol-2-yl)methanone.

Molecular Properties

Compound Namenaphthalen-2-yl-(1-prop-2-ynylpyrrol-2-yl)methanone
PubChem CID155907366
Molecular FormulaC18H13NO
Molecular Weight259.31 g/mol
Exact Mass259.10
IUPAC Namenaphthalen-2-yl-(1-prop-2-ynylpyrrol-2-yl)methanone
SMILESC#CCn1cccc1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H13NO/c1-2-11-19-12-5-8-17(19)18(20)16-10-9-14-6-3-4-7-15(14)13-16/h1,3-10,12-13H,11H2
InChIKeyAXRIJOKRSQSZPU-UHFFFAOYSA-N
XLogP3.51
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
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1,4-dinaphthalen-2-ylbutane-1,4-dione
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(2S,4S)-4-phenoxy-1-(1-prop-2-ynylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 167875963
imidazo[1,2-a]pyrimidin-3-yl(naphthalen-2-yl)methanone
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naphthalen-2-yl(1H-pyrrol-2-yl)methanone
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naphthalene-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl-(1-prop-2-ynylpyrrol-2-yl)methanone?
The IUPAC name of naphthalen-2-yl-(1-prop-2-ynylpyrrol-2-yl)methanone (CID 155907366) is naphthalen-2-yl-(1-prop-2-ynylpyrrol-2-yl)methanone.
What is the SMILES notation for naphthalen-2-yl-(1-prop-2-ynylpyrrol-2-yl)methanone?
The canonical SMILES for naphthalen-2-yl-(1-prop-2-ynylpyrrol-2-yl)methanone is C#CCn1cccc1C(=O)c1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl-(1-prop-2-ynylpyrrol-2-yl)methanone?
The InChIKey is AXRIJOKRSQSZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO/c1-2-11-19-12-5-8-17(19)18(20)16-10-9-14-6-3-4-7-15(14)13-16/h1,3-10,12-13H,11H2.
What are the key properties of naphthalen-2-yl-(1-prop-2-ynylpyrrol-2-yl)methanone?
naphthalen-2-yl-(1-prop-2-ynylpyrrol-2-yl)methanone has a molecular weight of 259.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl-(1-prop-2-ynylpyrrol-2-yl)methanone is sourced from PubChem (CID 155907366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).