2,3-dimethyl-4-(1-prop-2-enoylpyrrolidin-3-yl)-1H-indole-7-carboxamide

C18H21N3O2 — CID 121293914

IUPAC2,3-dimethyl-4-(1-prop-2-enoylpyrrolidin-3-yl)-1H-indole-7-carboxamide
SMILESC=CC(=O)N1CCC(c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)C1
InChIInChI=1S/C18H21N3O2/c1-4-15(22)21-8-7-12(9-21)13-5-6-14(18(19)23)17-16(13)10(2)11(3)20-17/h4-6,12,20H,1,7-9H2,2-3H3,(H2,19,23)
InChIKeyRWXVHAZAHJLTFG-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.39
Rot. Bonds3

About 2,3-dimethyl-4-(1-prop-2-enoylpyrrolidin-3-yl)-1H-indole-7-carboxamide

2,3-dimethyl-4-(1-prop-2-enoylpyrrolidin-3-yl)-1H-indole-7-carboxamide (PubChem CID 121293914) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2,3-dimethyl-4-(1-prop-2-enoylpyrrolidin-3-yl)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-4-(1-prop-2-enoylpyrrolidin-3-yl)-1H-indole-7-carboxamide
PubChem CID121293914
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2,3-dimethyl-4-(1-prop-2-enoylpyrrolidin-3-yl)-1H-indole-7-carboxamide
SMILESC=CC(=O)N1CCC(c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)C1
InChIInChI=1S/C18H21N3O2/c1-4-15(22)21-8-7-12(9-21)13-5-6-14(18(19)23)17-16(13)10(2)11(3)20-17/h4-6,12,20H,1,7-9H2,2-3H3,(H2,19,23)
InChIKeyRWXVHAZAHJLTFG-UHFFFAOYSA-N
XLogP2.39
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(1-prop-2-enoylpyrrolidin-3-yl)-1H-indole-7-carboxamide?
The IUPAC name of 2,3-dimethyl-4-(1-prop-2-enoylpyrrolidin-3-yl)-1H-indole-7-carboxamide (CID 121293914) is 2,3-dimethyl-4-(1-prop-2-enoylpyrrolidin-3-yl)-1H-indole-7-carboxamide.
What is the SMILES notation for 2,3-dimethyl-4-(1-prop-2-enoylpyrrolidin-3-yl)-1H-indole-7-carboxamide?
The canonical SMILES for 2,3-dimethyl-4-(1-prop-2-enoylpyrrolidin-3-yl)-1H-indole-7-carboxamide is C=CC(=O)N1CCC(c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)C1.
What is the InChIKey of 2,3-dimethyl-4-(1-prop-2-enoylpyrrolidin-3-yl)-1H-indole-7-carboxamide?
The InChIKey is RWXVHAZAHJLTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-4-15(22)21-8-7-12(9-21)13-5-6-14(18(19)23)17-16(13)10(2)11(3)20-17/h4-6,12,20H,1,7-9H2,2-3H3,(H2,19,23).
What are the key properties of 2,3-dimethyl-4-(1-prop-2-enoylpyrrolidin-3-yl)-1H-indole-7-carboxamide?
2,3-dimethyl-4-(1-prop-2-enoylpyrrolidin-3-yl)-1H-indole-7-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-(1-prop-2-enoylpyrrolidin-3-yl)-1H-indole-7-carboxamide is sourced from PubChem (CID 121293914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).