1-cyclobutyl-N-propyl-N-prop-2-ynylpyrrole-2-carboxamide

C15H20N2O — CID 114610854

IUPAC1-cyclobutyl-N-propyl-N-prop-2-ynylpyrrole-2-carboxamide
SMILESC#CCN(CCC)C(=O)c1cccn1C1CCC1
InChIInChI=1S/C15H20N2O/c1-3-10-16(11-4-2)15(18)14-9-6-12-17(14)13-7-5-8-13/h1,6,9,12-13H,4-5,7-8,10-11H2,2H3
InChIKeyUDOZRQORENOCSA-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.70
Rot. Bonds5

About 1-cyclobutyl-N-propyl-N-prop-2-ynylpyrrole-2-carboxamide

1-cyclobutyl-N-propyl-N-prop-2-ynylpyrrole-2-carboxamide (PubChem CID 114610854) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-cyclobutyl-N-propyl-N-prop-2-ynylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclobutyl-N-propyl-N-prop-2-ynylpyrrole-2-carboxamide
PubChem CID114610854
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-cyclobutyl-N-propyl-N-prop-2-ynylpyrrole-2-carboxamide
SMILESC#CCN(CCC)C(=O)c1cccn1C1CCC1
InChIInChI=1S/C15H20N2O/c1-3-10-16(11-4-2)15(18)14-9-6-12-17(14)13-7-5-8-13/h1,6,9,12-13H,4-5,7-8,10-11H2,2H3
InChIKeyUDOZRQORENOCSA-UHFFFAOYSA-N
XLogP2.70
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-propyl-N-prop-2-ynylpyrrole-2-carboxamide?
The IUPAC name of 1-cyclobutyl-N-propyl-N-prop-2-ynylpyrrole-2-carboxamide (CID 114610854) is 1-cyclobutyl-N-propyl-N-prop-2-ynylpyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclobutyl-N-propyl-N-prop-2-ynylpyrrole-2-carboxamide?
The canonical SMILES for 1-cyclobutyl-N-propyl-N-prop-2-ynylpyrrole-2-carboxamide is C#CCN(CCC)C(=O)c1cccn1C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-propyl-N-prop-2-ynylpyrrole-2-carboxamide?
The InChIKey is UDOZRQORENOCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-10-16(11-4-2)15(18)14-9-6-12-17(14)13-7-5-8-13/h1,6,9,12-13H,4-5,7-8,10-11H2,2H3.
What are the key properties of 1-cyclobutyl-N-propyl-N-prop-2-ynylpyrrole-2-carboxamide?
1-cyclobutyl-N-propyl-N-prop-2-ynylpyrrole-2-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-propyl-N-prop-2-ynylpyrrole-2-carboxamide is sourced from PubChem (CID 114610854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).