2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone

C14H23N3O — CID 79319089

IUPAC2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone
SMILESCN(CC(=O)c1ccn(C)c1)CC1CCCN1C
InChIInChI=1S/C14H23N3O/c1-15-8-6-12(9-15)14(18)11-16(2)10-13-5-4-7-17(13)3/h6,8-9,13H,4-5,7,10-11H2,1-3H3
InChIKeyPVUWVOXFOICGSW-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.23
Rot. Bonds5

About 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone

2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone (PubChem CID 79319089) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone
PubChem CID79319089
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone
SMILESCN(CC(=O)c1ccn(C)c1)CC1CCCN1C
InChIInChI=1S/C14H23N3O/c1-15-8-6-12(9-15)14(18)11-16(2)10-13-5-4-7-17(13)3/h6,8-9,13H,4-5,7,10-11H2,1-3H3
InChIKeyPVUWVOXFOICGSW-UHFFFAOYSA-N
XLogP1.23
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-iodophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319202
2-[cyclopentylmethyl(methyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 55248864
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(3-methylphenyl)ethanone
CID 79319620
1-(3-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319803
2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 63866776
1-(2-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319708
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one
CID 79318976
1-(2,4-dichlorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319415
1-(4-bromophenyl)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-one
CID 79312393
1-(2,5-dibromothiophen-3-yl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79318977
1-(2-methoxy-4-methylphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79310457
2-[methyl(propyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 43795621

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone?
The IUPAC name of 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone (CID 79319089) is 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone is CN(CC(=O)c1ccn(C)c1)CC1CCCN1C.
What is the InChIKey of 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone?
The InChIKey is PVUWVOXFOICGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-15-8-6-12(9-15)14(18)11-16(2)10-13-5-4-7-17(13)3/h6,8-9,13H,4-5,7,10-11H2,1-3H3.
What are the key properties of 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone?
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone has a molecular weight of 249.36 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone is sourced from PubChem (CID 79319089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).