4-[(3-methylpyrrolidin-3-yl)amino]azepan-2-one

C11H21N3O — CID 107423733

IUPAC4-[(3-methylpyrrolidin-3-yl)amino]azepan-2-one
SMILESCC1(NC2CCCNC(=O)C2)CCNC1
InChIInChI=1S/C11H21N3O/c1-11(4-6-12-8-11)14-9-3-2-5-13-10(15)7-9/h9,12,14H,2-8H2,1H3,(H,13,15)
InChIKeyLEYXNQDHLCHXON-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.00
Rot. Bonds2

About 4-[(3-methylpyrrolidin-3-yl)amino]azepan-2-one

4-[(3-methylpyrrolidin-3-yl)amino]azepan-2-one (PubChem CID 107423733) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-[(3-methylpyrrolidin-3-yl)amino]azepan-2-one.

Molecular Properties

Compound Name4-[(3-methylpyrrolidin-3-yl)amino]azepan-2-one
PubChem CID107423733
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-[(3-methylpyrrolidin-3-yl)amino]azepan-2-one
SMILESCC1(NC2CCCNC(=O)C2)CCNC1
InChIInChI=1S/C11H21N3O/c1-11(4-6-12-8-11)14-9-3-2-5-13-10(15)7-9/h9,12,14H,2-8H2,1H3,(H,13,15)
InChIKeyLEYXNQDHLCHXON-UHFFFAOYSA-N
XLogP-0.00
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5,8-Diazaspiro[3.6]decan-9-one
CID 125511555
3-(Pyrrolidin-1-yl)azepan-2-one
CID 566866
rac-(4R,5S)-4-amino-5-(propan-2-yl)pyrrolidin-2-one
CID 55285334
2-Pyrrolidin-2-yl-1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]ethanone
CID 119844326
4,4-dimethyl-decahydro-1H-1,5-benzodiazepin-2-one
CID 20334758
4,4-Dimethyl-5-propyl-1,3,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-2-one
CID 20334761
5-Butyl-4,4-dimethyl-1,3,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-2-one
CID 20334769
1-Butyl-4,4-dimethyl-3,5,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-2-one
CID 20334773
5-Ethyl-4,4-dimethyl-1,3,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-2-one
CID 20334774
3-(Tert-butylamino)azepan-2-one
CID 20608680
3-(Methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one
CID 20709342
trans-4,4-Dimethyl-decahydro-1,5-benzodiazepin-2-one
CID 22811247

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylpyrrolidin-3-yl)amino]azepan-2-one?
The IUPAC name of 4-[(3-methylpyrrolidin-3-yl)amino]azepan-2-one (CID 107423733) is 4-[(3-methylpyrrolidin-3-yl)amino]azepan-2-one.
What is the SMILES notation for 4-[(3-methylpyrrolidin-3-yl)amino]azepan-2-one?
The canonical SMILES for 4-[(3-methylpyrrolidin-3-yl)amino]azepan-2-one is CC1(NC2CCCNC(=O)C2)CCNC1.
What is the InChIKey of 4-[(3-methylpyrrolidin-3-yl)amino]azepan-2-one?
The InChIKey is LEYXNQDHLCHXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-11(4-6-12-8-11)14-9-3-2-5-13-10(15)7-9/h9,12,14H,2-8H2,1H3,(H,13,15).
What are the key properties of 4-[(3-methylpyrrolidin-3-yl)amino]azepan-2-one?
4-[(3-methylpyrrolidin-3-yl)amino]azepan-2-one has a molecular weight of 211.31 g/mol, XLogP of -0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylpyrrolidin-3-yl)amino]azepan-2-one is sourced from PubChem (CID 107423733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).