2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1H-indole-3-carbaldehyde

C19H23NO — CID 624591

IUPAC2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1H-indole-3-carbaldehyde
SMILESC=CC(C)(C)c1[nH]c2cc(CC=C(C)C)ccc2c1C=O
InChIInChI=1S/C19H23NO/c1-6-19(4,5)18-16(12-21)15-10-9-14(8-7-13(2)3)11-17(15)20-18/h6-7,9-12,20H,1,8H2,2-5H3
InChIKeyVTSPLWHXFAZGDY-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.95
Rot. Bonds5

About 2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1H-indole-3-carbaldehyde

2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1H-indole-3-carbaldehyde (PubChem CID 624591) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1H-indole-3-carbaldehyde
PubChem CID624591
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1H-indole-3-carbaldehyde
SMILESC=CC(C)(C)c1[nH]c2cc(CC=C(C)C)ccc2c1C=O
InChIInChI=1S/C19H23NO/c1-6-19(4,5)18-16(12-21)15-10-9-14(8-7-13(2)3)11-17(15)20-18/h6-7,9-12,20H,1,8H2,2-5H3
InChIKeyVTSPLWHXFAZGDY-UHFFFAOYSA-N
XLogP4.95
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-2-(2-methylbut-3-en-2-yl)-1H-indole-3-carbaldehyde
CID 134856304
1-(methoxymethyl)-2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)indole-3-carbaldehyde
CID 70677568
2,5-dihydroxy-3-(3-methylbut-2-enyl)-6-[2-[(3Z,6S,8R,11R)-8-methyl-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-2,5-dioxo-1,4-diazaspiro[5.5]undec-9-en-11-yl]ethyl]benzaldehyde
CID 71494044
3-methyl-1-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]butane-2,3-diol
CID 85086542
2,5-dihydroxy-3-(3-methylbut-2-enyl)-6-[2-[8-methyl-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-2,5-dioxo-1-azaspiro[5.5]undec-9-en-11-yl]ethyl]benzaldehyde
CID 163008372
6-(3-methylbut-2-enyl)-3-propyl-1H-indole
CID 170014016
1-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]propan-2-amine
CID 170014024
1-ethenylsulfonyl-4-(3-methylbut-2-enyl)benzene
CID 23466820
5-hydroxy-3-(1H-indol-3-yl)-4-(3-methylbut-2-enyl)-6-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-3,5-diene-1,2-dione
CID 11317825
1-ethenyl-4-(3-methylbut-2-enyl)benzene
CID 13229547
2-amino-3-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]propanoic acid
CID 164588463
7-prop-2-enyl-1H-quinazoline-2,4-dione
CID 19604299

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1H-indole-3-carbaldehyde (CID 624591) is 2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1H-indole-3-carbaldehyde is C=CC(C)(C)c1[nH]c2cc(CC=C(C)C)ccc2c1C=O.
What is the InChIKey of 2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1H-indole-3-carbaldehyde?
The InChIKey is VTSPLWHXFAZGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-6-19(4,5)18-16(12-21)15-10-9-14(8-7-13(2)3)11-17(15)20-18/h6-7,9-12,20H,1,8H2,2-5H3.
What are the key properties of 2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1H-indole-3-carbaldehyde?
2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1H-indole-3-carbaldehyde has a molecular weight of 281.40 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 624591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).