ethane;N-methylacetamide;2-methyl-3H-pyrrole

C10H20N2O — CID 161394735

IUPACethane;N-methylacetamide;2-methyl-3H-pyrrole
SMILESCC.CC1=NC=CC1.CNC(C)=O
InChIInChI=1S/C5H7N.C3H7NO.C2H6/c1-5-3-2-4-6-5;1-3(5)4-2;1-2/h2,4H,3H2,1H3;1-2H3,(H,4,5);1-2H3
InChIKeyVTLKDLWLKMXYAE-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.14
Rot. Bonds

About ethane;N-methylacetamide;2-methyl-3H-pyrrole

ethane;N-methylacetamide;2-methyl-3H-pyrrole (PubChem CID 161394735) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is ethane;N-methylacetamide;2-methyl-3H-pyrrole.

Molecular Properties

Compound Nameethane;N-methylacetamide;2-methyl-3H-pyrrole
PubChem CID161394735
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Nameethane;N-methylacetamide;2-methyl-3H-pyrrole
SMILESCC.CC1=NC=CC1.CNC(C)=O
InChIInChI=1S/C5H7N.C3H7NO.C2H6/c1-5-3-2-4-6-5;1-3(5)4-2;1-2/h2,4H,3H2,1H3;1-2H3,(H,4,5);1-2H3
InChIKeyVTLKDLWLKMXYAE-UHFFFAOYSA-N
XLogP2.14
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-3H-pyrrole-2-carboxamide
CID 58190011
carbanide;2,3-dihydropyrrol-2-ide;hydride;N-methylacetamide;tris(rubidium(1+))
CID 159375288
2,2-dimethyl-N-(3H-pyrrol-2-ylmethyl)propanamide
CID 159935625
ethane;N-(2-ethenyliminobut-3-enyl)acetamide
CID 177244131

Frequently Asked Questions

What is the IUPAC name of ethane;N-methylacetamide;2-methyl-3H-pyrrole?
The IUPAC name of ethane;N-methylacetamide;2-methyl-3H-pyrrole (CID 161394735) is ethane;N-methylacetamide;2-methyl-3H-pyrrole.
What is the SMILES notation for ethane;N-methylacetamide;2-methyl-3H-pyrrole?
The canonical SMILES for ethane;N-methylacetamide;2-methyl-3H-pyrrole is CC.CC1=NC=CC1.CNC(C)=O.
What is the InChIKey of ethane;N-methylacetamide;2-methyl-3H-pyrrole?
The InChIKey is VTLKDLWLKMXYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C3H7NO.C2H6/c1-5-3-2-4-6-5;1-3(5)4-2;1-2/h2,4H,3H2,1H3;1-2H3,(H,4,5);1-2H3.
What are the key properties of ethane;N-methylacetamide;2-methyl-3H-pyrrole?
ethane;N-methylacetamide;2-methyl-3H-pyrrole has a molecular weight of 184.28 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylacetamide;2-methyl-3H-pyrrole is sourced from PubChem (CID 161394735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).