1-cyclopropyl-3-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrrolidin-2-one

C21H22N2O — CID 75424290

IUPAC1-cyclopropyl-3-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrrolidin-2-one
SMILESO=C1C(N2Cc3ccccc3-c3ccccc3C2)CCN1C1CC1
InChIInChI=1S/C21H22N2O/c24-21-20(11-12-23(21)17-9-10-17)22-13-15-5-1-3-7-18(15)19-8-4-2-6-16(19)14-22/h1-8,17,20H,9-14H2
InChIKeyZMTPWEJZNBOBEJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.43
Rot. Bonds2

About 1-cyclopropyl-3-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrrolidin-2-one

1-cyclopropyl-3-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrrolidin-2-one (PubChem CID 75424290) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-cyclopropyl-3-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrrolidin-2-one
PubChem CID75424290
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name1-cyclopropyl-3-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrrolidin-2-one
SMILESO=C1C(N2Cc3ccccc3-c3ccccc3C2)CCN1C1CC1
InChIInChI=1S/C21H22N2O/c24-21-20(11-12-23(21)17-9-10-17)22-13-15-5-1-3-7-18(15)19-8-4-2-6-16(19)14-22/h1-8,17,20H,9-14H2
InChIKeyZMTPWEJZNBOBEJ-UHFFFAOYSA-N
XLogP3.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Epsiprantel
CID 72026
3-(4-Benzylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione
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CID 11529874
N-Biphenyl-2-ylmethyl-N-(S)-pyrrolidin-3-yl-propionamide
CID 11536862
N-Biphenyl-2-ylmethyl-3-methyl-N-(S)-pyrrolidin-3-yl-butyramide
CID 11566229
N-Biphenyl-2-ylmethyl-N-(S)-pyrrolidin-3-yl-butyramide
CID 11616771
N-(2-Cyclopropyl-benzyl)-N-(S)-pyrrolidin-3-yl-isobutyramide
CID 11687843
4-[(2-methylphenyl)methyl]-1-[(E)-3-phenylprop-2-enyl]-1,4-diazepan-5-one
CID 44169938
5-Phenyl-1-[(S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-pentan-1-one
CID 44358297
((1S,2S)-2-Phenyl-cyclopropyl)-[(S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-methanone
CID 44358357
N-Biphenyl-2-ylmethyl-N-(S)-pyrrolidin-3-yl-acetamide
CID 44578369
4-[(2-Methylphenyl)methyl]-1-(3-phenylprop-2-enyl)-1,4-diazepan-5-one
CID 52944173

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-3-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrrolidin-2-one (CID 75424290) is 1-cyclopropyl-3-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-3-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrrolidin-2-one is O=C1C(N2Cc3ccccc3-c3ccccc3C2)CCN1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrrolidin-2-one?
The InChIKey is ZMTPWEJZNBOBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c24-21-20(11-12-23(21)17-9-10-17)22-13-15-5-1-3-7-18(15)19-8-4-2-6-16(19)14-22/h1-8,17,20H,9-14H2.
What are the key properties of 1-cyclopropyl-3-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrrolidin-2-one?
1-cyclopropyl-3-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrrolidin-2-one has a molecular weight of 318.42 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrrolidin-2-one is sourced from PubChem (CID 75424290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).