1-[2-[[(1-acetylpyrrolidin-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone

C13H23N3O2 — CID 90723463

IUPAC1-[2-[[(1-acetylpyrrolidin-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1CNC1CCCN1C(C)=O
InChIInChI=1S/C13H23N3O2/c1-10(17)15-7-3-5-12(15)9-14-13-6-4-8-16(13)11(2)18/h12-14H,3-9H2,1-2H3
InChIKeyBVNOMTCXLMHAHE-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.56
Rot. Bonds3

About 1-[2-[[(1-acetylpyrrolidin-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone

1-[2-[[(1-acetylpyrrolidin-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 90723463) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[2-[[(1-acetylpyrrolidin-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[[(1-acetylpyrrolidin-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone
PubChem CID90723463
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[2-[[(1-acetylpyrrolidin-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1CNC1CCCN1C(C)=O
InChIInChI=1S/C13H23N3O2/c1-10(17)15-7-3-5-12(15)9-14-13-6-4-8-16(13)11(2)18/h12-14H,3-9H2,1-2H3
InChIKeyBVNOMTCXLMHAHE-UHFFFAOYSA-N
XLogP0.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 66569273
1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 95037259
2-[[(2R)-1-acetylpyrrolidin-2-yl]methylamino]acetic acid
CID 96553108
N-[[(2S)-1-acetylpyrrolidin-2-yl]methyl]-2,2,2-trifluoroacetamide
CID 143059695
2-(1-acetylpyrrolidin-2-yl)acetamide
CID 127011222
2-[(cyclopentylamino)methyl]pyrrolidine-1-carbothioic S-acid
CID 142941248
ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate
CID 106636324
1-[(2S)-2-(2-hydroxyethoxymethyl)pyrrolidin-1-yl]ethanone
CID 96551952
ethanol;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone;propane
CID 178050094
3-methyl-1-[2-[[(1-methylpiperidin-4-yl)amino]methyl]pyrrolidin-1-yl]butane-1,2-dione
CID 162779609

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1-acetylpyrrolidin-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[[(1-acetylpyrrolidin-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone (CID 90723463) is 1-[2-[[(1-acetylpyrrolidin-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[[(1-acetylpyrrolidin-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[[(1-acetylpyrrolidin-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1CNC1CCCN1C(C)=O.
What is the InChIKey of 1-[2-[[(1-acetylpyrrolidin-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is BVNOMTCXLMHAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(17)15-7-3-5-12(15)9-14-13-6-4-8-16(13)11(2)18/h12-14H,3-9H2,1-2H3.
What are the key properties of 1-[2-[[(1-acetylpyrrolidin-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone?
1-[2-[[(1-acetylpyrrolidin-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 253.35 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1-acetylpyrrolidin-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 90723463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).