buta-1,3-diene;1-ethyl-2-methylindol-4-ol;2-methylbut-2-ene

C20H29NO — CID 143459715

IUPACbuta-1,3-diene;1-ethyl-2-methylindol-4-ol;2-methylbut-2-ene
SMILESC=CC=C.CC=C(C)C.CCn1c(C)cc2c(O)cccc21
InChIInChI=1S/C11H13NO.C5H10.C4H6/c1-3-12-8(2)7-9-10(12)5-4-6-11(9)13;1-4-5(2)3;1-3-4-2/h4-7,13H,3H2,1-2H3;4H,1-3H3;3-4H,1-2H2
InChIKeyOJCWTYIEWGNHNN-UHFFFAOYSA-N
MW299.46 g/mol
LogP6.01
Rot. Bonds2

About buta-1,3-diene;1-ethyl-2-methylindol-4-ol;2-methylbut-2-ene

buta-1,3-diene;1-ethyl-2-methylindol-4-ol;2-methylbut-2-ene (PubChem CID 143459715) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is buta-1,3-diene;1-ethyl-2-methylindol-4-ol;2-methylbut-2-ene.

Molecular Properties

Compound Namebuta-1,3-diene;1-ethyl-2-methylindol-4-ol;2-methylbut-2-ene
PubChem CID143459715
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Namebuta-1,3-diene;1-ethyl-2-methylindol-4-ol;2-methylbut-2-ene
SMILESC=CC=C.CC=C(C)C.CCn1c(C)cc2c(O)cccc21
InChIInChI=1S/C11H13NO.C5H10.C4H6/c1-3-12-8(2)7-9-10(12)5-4-6-11(9)13;1-4-5(2)3;1-3-4-2/h4-7,13H,3H2,1-2H3;4H,1-3H3;3-4H,1-2H2
InChIKeyOJCWTYIEWGNHNN-UHFFFAOYSA-N
XLogP6.01
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.46
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-methylindole-4-carbaldehyde
CID 117204242
2-methyl-1-[(2-methylphenyl)methyl]indol-4-ol
CID 10848359
1-ethyl-2-(2-hydroxypropan-2-yl)indol-4-ol
CID 117120545
1-ethyl-2-(ethylaminomethyl)indol-4-ol
CID 117173987
2-(ethoxymethyl)-1-ethylindol-4-ol
CID 117173988
1-ethyl-5-hydroxyquinolin-2-one
CID 70394482
1-ethyl-2-methyl-4-phenylmethoxyindole
CID 143459562
1-ethyl-2-[(4-methoxyphenoxy)methyl]indol-4-ol
CID 117173947
1-ethyl-2-[(2-methoxyphenoxy)methyl]indol-4-ol
CID 117173851
1-ethyl-2-methylindol-5-ol
CID 115014527
(Z)-N-(1-ethyl-3-methylindol-2-yl)prop-2-en-1-imine
CID 171072973
1-ethyl-4-hydroxy-6-methylquinolin-2-one
CID 54696301

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;1-ethyl-2-methylindol-4-ol;2-methylbut-2-ene?
The IUPAC name of buta-1,3-diene;1-ethyl-2-methylindol-4-ol;2-methylbut-2-ene (CID 143459715) is buta-1,3-diene;1-ethyl-2-methylindol-4-ol;2-methylbut-2-ene.
What is the SMILES notation for buta-1,3-diene;1-ethyl-2-methylindol-4-ol;2-methylbut-2-ene?
The canonical SMILES for buta-1,3-diene;1-ethyl-2-methylindol-4-ol;2-methylbut-2-ene is C=CC=C.CC=C(C)C.CCn1c(C)cc2c(O)cccc21.
What is the InChIKey of buta-1,3-diene;1-ethyl-2-methylindol-4-ol;2-methylbut-2-ene?
The InChIKey is OJCWTYIEWGNHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C5H10.C4H6/c1-3-12-8(2)7-9-10(12)5-4-6-11(9)13;1-4-5(2)3;1-3-4-2/h4-7,13H,3H2,1-2H3;4H,1-3H3;3-4H,1-2H2.
What are the key properties of buta-1,3-diene;1-ethyl-2-methylindol-4-ol;2-methylbut-2-ene?
buta-1,3-diene;1-ethyl-2-methylindol-4-ol;2-methylbut-2-ene has a molecular weight of 299.46 g/mol, XLogP of 6.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;1-ethyl-2-methylindol-4-ol;2-methylbut-2-ene is sourced from PubChem (CID 143459715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).