5,6-dimethyl-N-penta-2,4-dien-2-yl-1H-indole-2-carboxamide

C16H18N2O — CID 123286993

IUPAC5,6-dimethyl-N-penta-2,4-dien-2-yl-1H-indole-2-carboxamide
SMILESC=CC=C(C)NC(=O)c1cc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C16H18N2O/c1-5-6-12(4)17-16(19)15-9-13-7-10(2)11(3)8-14(13)18-15/h5-9,18H,1H2,2-4H3,(H,17,19)
InChIKeyZFYQEIYKSJLRDO-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.60
Rot. Bonds3

About 5,6-dimethyl-N-penta-2,4-dien-2-yl-1H-indole-2-carboxamide

5,6-dimethyl-N-penta-2,4-dien-2-yl-1H-indole-2-carboxamide (PubChem CID 123286993) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 5,6-dimethyl-N-penta-2,4-dien-2-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-N-penta-2,4-dien-2-yl-1H-indole-2-carboxamide
PubChem CID123286993
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name5,6-dimethyl-N-penta-2,4-dien-2-yl-1H-indole-2-carboxamide
SMILESC=CC=C(C)NC(=O)c1cc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C16H18N2O/c1-5-6-12(4)17-16(19)15-9-13-7-10(2)11(3)8-14(13)18-15/h5-9,18H,1H2,2-4H3,(H,17,19)
InChIKeyZFYQEIYKSJLRDO-UHFFFAOYSA-N
XLogP3.60
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-penta-2,4-dien-2-yl-1H-indole-2-carboxamide?
The IUPAC name of 5,6-dimethyl-N-penta-2,4-dien-2-yl-1H-indole-2-carboxamide (CID 123286993) is 5,6-dimethyl-N-penta-2,4-dien-2-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 5,6-dimethyl-N-penta-2,4-dien-2-yl-1H-indole-2-carboxamide?
The canonical SMILES for 5,6-dimethyl-N-penta-2,4-dien-2-yl-1H-indole-2-carboxamide is C=CC=C(C)NC(=O)c1cc2cc(C)c(C)cc2[nH]1.
What is the InChIKey of 5,6-dimethyl-N-penta-2,4-dien-2-yl-1H-indole-2-carboxamide?
The InChIKey is ZFYQEIYKSJLRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-5-6-12(4)17-16(19)15-9-13-7-10(2)11(3)8-14(13)18-15/h5-9,18H,1H2,2-4H3,(H,17,19).
What are the key properties of 5,6-dimethyl-N-penta-2,4-dien-2-yl-1H-indole-2-carboxamide?
5,6-dimethyl-N-penta-2,4-dien-2-yl-1H-indole-2-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-penta-2,4-dien-2-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 123286993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).