(4-methylphenyl)-(1-prop-2-ynylindol-5-yl)methanone

C19H15NO — CID 134352760

IUPAC(4-methylphenyl)-(1-prop-2-ynylindol-5-yl)methanone
SMILESC#CCn1ccc2cc(C(=O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C19H15NO/c1-3-11-20-12-10-16-13-17(8-9-18(16)20)19(21)15-6-4-14(2)5-7-15/h1,4-10,12-13H,11H2,2H3
InChIKeySEMQKYIFOITEPX-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.81
Rot. Bonds3

About (4-methylphenyl)-(1-prop-2-ynylindol-5-yl)methanone

(4-methylphenyl)-(1-prop-2-ynylindol-5-yl)methanone (PubChem CID 134352760) has the molecular formula C19H15NO and a molecular weight of 273.33 g/mol. Its IUPAC name is (4-methylphenyl)-(1-prop-2-ynylindol-5-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(1-prop-2-ynylindol-5-yl)methanone
PubChem CID134352760
Molecular FormulaC19H15NO
Molecular Weight273.33 g/mol
Exact Mass273.12
IUPAC Name(4-methylphenyl)-(1-prop-2-ynylindol-5-yl)methanone
SMILESC#CCn1ccc2cc(C(=O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C19H15NO/c1-3-11-20-12-10-16-13-17(8-9-18(16)20)19(21)15-6-4-14(2)5-7-15/h1,4-10,12-13H,11H2,2H3
InChIKeySEMQKYIFOITEPX-UHFFFAOYSA-N
XLogP3.81
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.81
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

5-methoxy-1-prop-2-ynylindole
CID 45091362
5-propan-2-yloxy-1-prop-2-ynylindole
CID 116625801
4-[2-(5-methylindol-1-yl)acetyl]benzonitrile
CID 63554605
naphthalen-2-yl-(1-prop-2-ynylpyrrol-2-yl)methanone
CID 155907366
3-(5-methylindol-1-yl)-1-phenylpropan-1-one
CID 116691935
1-(2-oxopropyl)indole-5-carboxylic acid
CID 90317816
1-[3-[4-(4-methylphenyl)phenoxy]-2-oxopropyl]indole-5-carboxylic acid
CID 46868198
1-(1-ethylindol-5-yl)butan-1-one
CID 71284644
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
(3-methylphenyl)-(1-prop-2-ynylindol-2-yl)methanone
CID 101417262
2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 63554603
N-ethyl-2-(5-methylindol-1-yl)acetamide
CID 116623028

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(1-prop-2-ynylindol-5-yl)methanone?
The IUPAC name of (4-methylphenyl)-(1-prop-2-ynylindol-5-yl)methanone (CID 134352760) is (4-methylphenyl)-(1-prop-2-ynylindol-5-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(1-prop-2-ynylindol-5-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(1-prop-2-ynylindol-5-yl)methanone is C#CCn1ccc2cc(C(=O)c3ccc(C)cc3)ccc21.
What is the InChIKey of (4-methylphenyl)-(1-prop-2-ynylindol-5-yl)methanone?
The InChIKey is SEMQKYIFOITEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO/c1-3-11-20-12-10-16-13-17(8-9-18(16)20)19(21)15-6-4-14(2)5-7-15/h1,4-10,12-13H,11H2,2H3.
What are the key properties of (4-methylphenyl)-(1-prop-2-ynylindol-5-yl)methanone?
(4-methylphenyl)-(1-prop-2-ynylindol-5-yl)methanone has a molecular weight of 273.33 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(1-prop-2-ynylindol-5-yl)methanone is sourced from PubChem (CID 134352760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).