4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(9H-fluoren-2-yl)pyrrolidin-2-one

C24H27N3O2 — CID 120808303

IUPAC4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(9H-fluoren-2-yl)pyrrolidin-2-one
SMILESCC1(CN)CCN(C(=O)C2CC(=O)N(c3ccc4c(c3)Cc3ccccc3-4)C2)C1
InChIInChI=1S/C24H27N3O2/c1-24(14-25)8-9-26(15-24)23(29)18-12-22(28)27(13-18)19-6-7-21-17(11-19)10-16-4-2-3-5-20(16)21/h2-7,11,18H,8-10,12-15,25H2,1H3
InChIKeyTYMCMUQXFQREMF-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.81
Rot. Bonds3

About 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(9H-fluoren-2-yl)pyrrolidin-2-one

4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(9H-fluoren-2-yl)pyrrolidin-2-one (PubChem CID 120808303) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(9H-fluoren-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(9H-fluoren-2-yl)pyrrolidin-2-one
PubChem CID120808303
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(9H-fluoren-2-yl)pyrrolidin-2-one
SMILESCC1(CN)CCN(C(=O)C2CC(=O)N(c3ccc4c(c3)Cc3ccccc3-4)C2)C1
InChIInChI=1S/C24H27N3O2/c1-24(14-25)8-9-26(15-24)23(29)18-12-22(28)27(13-18)19-6-7-21-17(11-19)10-16-4-2-3-5-20(16)21/h2-7,11,18H,8-10,12-15,25H2,1H3
InChIKeyTYMCMUQXFQREMF-UHFFFAOYSA-N
XLogP2.81
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one;hydrochloride
CID 120804906
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 120805051
1-(9H-fluoren-2-yl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119562298
(3S)-1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 51616571
1-(9H-fluoren-2-yl)-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119540813
1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50879672
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
CID 120805881
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-ethylpyrrolidin-2-one;hydrochloride
CID 120806642
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one;hydrochloride
CID 120808570
(1-methoxy-1-oxopropan-2-yl) 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 56799248
(3R)-1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 125149870
4-ethenyl-1-(9H-fluoren-2-yl)pyrrolidin-2-one
CID 168685806

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(9H-fluoren-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(9H-fluoren-2-yl)pyrrolidin-2-one (CID 120808303) is 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(9H-fluoren-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(9H-fluoren-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(9H-fluoren-2-yl)pyrrolidin-2-one is CC1(CN)CCN(C(=O)C2CC(=O)N(c3ccc4c(c3)Cc3ccccc3-4)C2)C1.
What is the InChIKey of 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(9H-fluoren-2-yl)pyrrolidin-2-one?
The InChIKey is TYMCMUQXFQREMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-24(14-25)8-9-26(15-24)23(29)18-12-22(28)27(13-18)19-6-7-21-17(11-19)10-16-4-2-3-5-20(16)21/h2-7,11,18H,8-10,12-15,25H2,1H3.
What are the key properties of 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(9H-fluoren-2-yl)pyrrolidin-2-one?
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(9H-fluoren-2-yl)pyrrolidin-2-one has a molecular weight of 389.50 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(9H-fluoren-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 120808303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).