5-methoxy-2-prop-2-enyl-1-pyrimidin-2-ylindole

C16H15N3O — CID 122209129

IUPAC5-methoxy-2-prop-2-enyl-1-pyrimidin-2-ylindole
SMILESC=CCc1cc2cc(OC)ccc2n1-c1ncccn1
InChIInChI=1S/C16H15N3O/c1-3-5-13-10-12-11-14(20-2)6-7-15(12)19(13)16-17-8-4-9-18-16/h3-4,6-11H,1,5H2,2H3
InChIKeyWOPLYVBWAXQNMY-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.16
Rot. Bonds4

About 5-methoxy-2-prop-2-enyl-1-pyrimidin-2-ylindole

5-methoxy-2-prop-2-enyl-1-pyrimidin-2-ylindole (PubChem CID 122209129) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-methoxy-2-prop-2-enyl-1-pyrimidin-2-ylindole.

Molecular Properties

Compound Name5-methoxy-2-prop-2-enyl-1-pyrimidin-2-ylindole
PubChem CID122209129
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name5-methoxy-2-prop-2-enyl-1-pyrimidin-2-ylindole
SMILESC=CCc1cc2cc(OC)ccc2n1-c1ncccn1
InChIInChI=1S/C16H15N3O/c1-3-5-13-10-12-11-14(20-2)6-7-15(12)19(13)16-17-8-4-9-18-16/h3-4,6-11H,1,5H2,2H3
InChIKeyWOPLYVBWAXQNMY-UHFFFAOYSA-N
XLogP3.16
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-prop-2-enyl-1-pyrimidin-2-ylindole
CID 122209133
2-[(3-methoxyphenyl)methyl]-5-methyl-1-pyrimidin-2-ylindole
CID 155679290
2-methoxy-6-prop-2-enylnaphthalene
CID 55253268
2-ethenyl-5-methyl-1-pyrimidin-2-ylindole
CID 155679286
ethene;6-methoxyquinoline
CID 174599262
bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-pyridin-2-ylpyridine
CID 67748383
1-benzyl-2-ethenyl-5-methoxyindole
CID 139256269
(5-methoxy-1-pyrimidin-2-ylindol-3-yl)methanol
CID 30772666
9-methoxyindolo[1,2-a]quinoxaline
CID 46177682
2-[3-(4-methoxy-2-prop-2-enylphenoxy)propylsulfanyl]pyrimidine
CID 2948891
(5-methoxy-1-propan-2-ylindol-2-yl)methanamine
CID 83860138
4-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-prop-2-enylbenzene
CID 129010804

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-prop-2-enyl-1-pyrimidin-2-ylindole?
The IUPAC name of 5-methoxy-2-prop-2-enyl-1-pyrimidin-2-ylindole (CID 122209129) is 5-methoxy-2-prop-2-enyl-1-pyrimidin-2-ylindole.
What is the SMILES notation for 5-methoxy-2-prop-2-enyl-1-pyrimidin-2-ylindole?
The canonical SMILES for 5-methoxy-2-prop-2-enyl-1-pyrimidin-2-ylindole is C=CCc1cc2cc(OC)ccc2n1-c1ncccn1.
What is the InChIKey of 5-methoxy-2-prop-2-enyl-1-pyrimidin-2-ylindole?
The InChIKey is WOPLYVBWAXQNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-3-5-13-10-12-11-14(20-2)6-7-15(12)19(13)16-17-8-4-9-18-16/h3-4,6-11H,1,5H2,2H3.
What are the key properties of 5-methoxy-2-prop-2-enyl-1-pyrimidin-2-ylindole?
5-methoxy-2-prop-2-enyl-1-pyrimidin-2-ylindole has a molecular weight of 265.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-prop-2-enyl-1-pyrimidin-2-ylindole is sourced from PubChem (CID 122209129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).