6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one

C23H25N3O3 — CID 121335316

IUPAC6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESC/C=C/Cn1cc(-c2ccc(C(=O)N3CCOCC3)cc2)c2cc(C)[nH]c2c1=O
InChIInChI=1S/C23H25N3O3/c1-3-4-9-26-15-20(19-14-16(2)24-21(19)23(26)28)17-5-7-18(8-6-17)22(27)25-10-12-29-13-11-25/h3-8,14-15,24H,9-13H2,1-2H3/b4-3+
InChIKeyPOICMTYCJMMADL-ONEGZZNKSA-N
MW391.47 g/mol
LogP3.35
Rot. Bonds4

About 6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one

6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 121335316) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID121335316
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESC/C=C/Cn1cc(-c2ccc(C(=O)N3CCOCC3)cc2)c2cc(C)[nH]c2c1=O
InChIInChI=1S/C23H25N3O3/c1-3-4-9-26-15-20(19-14-16(2)24-21(19)23(26)28)17-5-7-18(8-6-17)22(27)25-10-12-29-13-11-25/h3-8,14-15,24H,9-13H2,1-2H3/b4-3+
InChIKeyPOICMTYCJMMADL-ONEGZZNKSA-N
XLogP3.35
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one (CID 121335316) is 6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one is C/C=C/Cn1cc(-c2ccc(C(=O)N3CCOCC3)cc2)c2cc(C)[nH]c2c1=O.
What is the InChIKey of 6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is POICMTYCJMMADL-ONEGZZNKSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-3-4-9-26-15-20(19-14-16(2)24-21(19)23(26)28)17-5-7-18(8-6-17)22(27)25-10-12-29-13-11-25/h3-8,14-15,24H,9-13H2,1-2H3/b4-3+.
What are the key properties of 6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 391.47 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 121335316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).