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

C13H20N2O — CID 63866776

IUPAC2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone
SMILESCC1CC1CN(C)CC(=O)c1ccn(C)c1
InChIInChI=1S/C13H20N2O/c1-10-6-12(10)8-15(3)9-13(16)11-4-5-14(2)7-11/h4-5,7,10,12H,6,8-9H2,1-3H3
InChIKeyOCIAWVGAOBMTDV-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.80
Rot. Bonds5

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

2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone (PubChem CID 63866776) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone
PubChem CID63866776
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone
SMILESCC1CC1CN(C)CC(=O)c1ccn(C)c1
InChIInChI=1S/C13H20N2O/c1-10-6-12(10)8-15(3)9-13(16)11-4-5-14(2)7-11/h4-5,7,10,12H,6,8-9H2,1-3H3
InChIKeyOCIAWVGAOBMTDV-UHFFFAOYSA-N
XLogP1.80
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone?
The IUPAC name of 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone (CID 63866776) is 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone is CC1CC1CN(C)CC(=O)c1ccn(C)c1.
What is the InChIKey of 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone?
The InChIKey is OCIAWVGAOBMTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-6-12(10)8-15(3)9-13(16)11-4-5-14(2)7-11/h4-5,7,10,12H,6,8-9H2,1-3H3.
What are the key properties of 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone?
2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone has a molecular weight of 220.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone is sourced from PubChem (CID 63866776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).