5-methoxy-3-[(Z)-2-pyridin-4-ylprop-1-enyl]-1H-indole

C17H16N2O — CID 5386680

IUPAC5-methoxy-3-[(Z)-2-pyridin-4-ylprop-1-enyl]-1H-indole
SMILESCOc1ccc2[nH]cc(/C=C(/C)c3ccncc3)c2c1
InChIInChI=1S/C17H16N2O/c1-12(13-5-7-18-8-6-13)9-14-11-19-17-4-3-15(20-2)10-16(14)17/h3-11,19H,1-2H3/b12-9-
InChIKeySNVHSFVDDWBOPU-XFXZXTDPSA-N
MW264.33 g/mol
LogP4.13
Rot. Bonds3

About 5-methoxy-3-[(Z)-2-pyridin-4-ylprop-1-enyl]-1H-indole

5-methoxy-3-[(Z)-2-pyridin-4-ylprop-1-enyl]-1H-indole (PubChem CID 5386680) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-methoxy-3-[(Z)-2-pyridin-4-ylprop-1-enyl]-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-[(Z)-2-pyridin-4-ylprop-1-enyl]-1H-indole
PubChem CID5386680
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name5-methoxy-3-[(Z)-2-pyridin-4-ylprop-1-enyl]-1H-indole
SMILESCOc1ccc2[nH]cc(/C=C(/C)c3ccncc3)c2c1
InChIInChI=1S/C17H16N2O/c1-12(13-5-7-18-8-6-13)9-14-11-19-17-4-3-15(20-2)10-16(14)17/h3-11,19H,1-2H3/b12-9-
InChIKeySNVHSFVDDWBOPU-XFXZXTDPSA-N
XLogP4.13
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-3-(pyridine-4-carbonyl)-1H-quinolin-4-one
CID 42585812
1-chloro-4-(5-methoxy-1H-indol-3-yl)but-3-en-2-one
CID 77040377
(E)-3-(4-chloro-3-pyridinyl)-2-(5-methoxy-1H-indol-3-yl)prop-2-enenitrile
CID 67514149
2-(5-methoxy-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
CID 69376559
N-[(Z)-1-(5-methoxy-1H-indol-3-yl)-3-[[(2R)-1-methoxypropan-2-yl]amino]-3-oxoprop-1-en-2-yl]benzamide
CID 99935208
1-(3-methoxyphenyl)-3-pyridin-4-ylbut-2-en-1-one
CID 86237720
N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
CID 135399898
3-bromo-5-methoxy-1H-indole;ethane
CID 145418707
(5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340450
(E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide
CID 52901119
N-[1-(5-methoxy-1H-indol-3-yl)-3-(2-methylanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 91969708
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[(Z)-2-pyridin-4-ylprop-1-enyl]-1H-indole?
The IUPAC name of 5-methoxy-3-[(Z)-2-pyridin-4-ylprop-1-enyl]-1H-indole (CID 5386680) is 5-methoxy-3-[(Z)-2-pyridin-4-ylprop-1-enyl]-1H-indole.
What is the SMILES notation for 5-methoxy-3-[(Z)-2-pyridin-4-ylprop-1-enyl]-1H-indole?
The canonical SMILES for 5-methoxy-3-[(Z)-2-pyridin-4-ylprop-1-enyl]-1H-indole is COc1ccc2[nH]cc(/C=C(/C)c3ccncc3)c2c1.
What is the InChIKey of 5-methoxy-3-[(Z)-2-pyridin-4-ylprop-1-enyl]-1H-indole?
The InChIKey is SNVHSFVDDWBOPU-XFXZXTDPSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12(13-5-7-18-8-6-13)9-14-11-19-17-4-3-15(20-2)10-16(14)17/h3-11,19H,1-2H3/b12-9-.
What are the key properties of 5-methoxy-3-[(Z)-2-pyridin-4-ylprop-1-enyl]-1H-indole?
5-methoxy-3-[(Z)-2-pyridin-4-ylprop-1-enyl]-1H-indole has a molecular weight of 264.33 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[(Z)-2-pyridin-4-ylprop-1-enyl]-1H-indole is sourced from PubChem (CID 5386680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).