5-[(cyclooctylamino)methyl]pyrrolidin-2-one

C13H24N2O — CID 60727135

IUPAC5-[(cyclooctylamino)methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNC2CCCCCCC2)N1
InChIInChI=1S/C13H24N2O/c16-13-9-8-12(15-13)10-14-11-6-4-2-1-3-5-7-11/h11-12,14H,1-10H2,(H,15,16)
InChIKeyAVCHZTPRTSNFMN-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.97
Rot. Bonds3

About 5-[(cyclooctylamino)methyl]pyrrolidin-2-one

5-[(cyclooctylamino)methyl]pyrrolidin-2-one (PubChem CID 60727135) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 5-[(cyclooctylamino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(cyclooctylamino)methyl]pyrrolidin-2-one
PubChem CID60727135
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name5-[(cyclooctylamino)methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNC2CCCCCCC2)N1
InChIInChI=1S/C13H24N2O/c16-13-9-8-12(15-13)10-14-11-6-4-2-1-3-5-7-11/h11-12,14H,1-10H2,(H,15,16)
InChIKeyAVCHZTPRTSNFMN-UHFFFAOYSA-N
XLogP1.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(cyclopentylamino)methyl]piperidin-2-one
CID 130657607
6-[(cyclobutylamino)methyl]piperidin-2-one
CID 130620143
5-[[(2-methylcyclohexyl)amino]methyl]pyrrolidin-2-one
CID 60727633
5-[[(1,1-dioxothiolan-3-yl)amino]methyl]pyrrolidin-2-one
CID 60727214
5-[[2-[(cyclopropylamino)methyl]piperidin-1-yl]methyl]pyrrolidin-2-one
CID 114281794
N-(piperidin-2-ylmethyl)cyclooctanamine
CID 106632850
tert-butyl N-[3-[(5-oxopyrrolidin-2-yl)methylamino]cyclohexyl]carbamate
CID 103720241
N-[(5-oxopyrrolidin-2-yl)methyl]azocane-2-carboxamide
CID 114240154
5-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]pyrrolidin-2-one
CID 115871575
5-[(2,2-dicyclopropylethylamino)methyl]pyrrolidin-2-one
CID 107529578
5-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]pyrrolidin-2-one
CID 79504176
4-(cyclopentylmethylamino)azepan-2-one
CID 63905028

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclooctylamino)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(cyclooctylamino)methyl]pyrrolidin-2-one (CID 60727135) is 5-[(cyclooctylamino)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(cyclooctylamino)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(cyclooctylamino)methyl]pyrrolidin-2-one is O=C1CCC(CNC2CCCCCCC2)N1.
What is the InChIKey of 5-[(cyclooctylamino)methyl]pyrrolidin-2-one?
The InChIKey is AVCHZTPRTSNFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c16-13-9-8-12(15-13)10-14-11-6-4-2-1-3-5-7-11/h11-12,14H,1-10H2,(H,15,16).
What are the key properties of 5-[(cyclooctylamino)methyl]pyrrolidin-2-one?
5-[(cyclooctylamino)methyl]pyrrolidin-2-one has a molecular weight of 224.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclooctylamino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 60727135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).