1-[5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]-2-pyridinyl]pyrrolidin-2-one

C24H29N3O — CID 11509068

IUPAC1-[5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]-2-pyridinyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(Cc2ccc3c(c2)CCN(C2CCC2)CC3)cn1
InChIInChI=1S/C24H29N3O/c28-24-5-2-12-27(24)23-9-7-19(17-25-23)15-18-6-8-20-10-13-26(22-3-1-4-22)14-11-21(20)16-18/h6-9,16-17,22H,1-5,10-15H2
InChIKeyOVYFOEMMKCCEMC-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.75
Rot. Bonds4

About 1-[5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]-2-pyridinyl]pyrrolidin-2-one

1-[5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]-2-pyridinyl]pyrrolidin-2-one (PubChem CID 11509068) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-[5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]-2-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]-2-pyridinyl]pyrrolidin-2-one
PubChem CID11509068
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name1-[5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]-2-pyridinyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(Cc2ccc3c(c2)CCN(C2CCC2)CC3)cn1
InChIInChI=1S/C24H29N3O/c28-24-5-2-12-27(24)23-9-7-19(17-25-23)15-18-6-8-20-10-13-26(22-3-1-4-22)14-11-21(20)16-18/h6-9,16-17,22H,1-5,10-15H2
InChIKeyOVYFOEMMKCCEMC-UHFFFAOYSA-N
XLogP3.75
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]-2-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 1-[5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]-2-pyridinyl]pyrrolidin-2-one (CID 11509068) is 1-[5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]-2-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]-2-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]-2-pyridinyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(Cc2ccc3c(c2)CCN(C2CCC2)CC3)cn1.
What is the InChIKey of 1-[5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]-2-pyridinyl]pyrrolidin-2-one?
The InChIKey is OVYFOEMMKCCEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c28-24-5-2-12-27(24)23-9-7-19(17-25-23)15-18-6-8-20-10-13-26(22-3-1-4-22)14-11-21(20)16-18/h6-9,16-17,22H,1-5,10-15H2.
What are the key properties of 1-[5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]-2-pyridinyl]pyrrolidin-2-one?
1-[5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]-2-pyridinyl]pyrrolidin-2-one has a molecular weight of 375.52 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]-2-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 11509068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).