ethane;1-methyl-N-propylpyrrole-2-carboxamide

C11H20N2O — CID 143101069

IUPACethane;1-methyl-N-propylpyrrole-2-carboxamide
SMILESCC.CCCNC(=O)c1cccn1C
InChIInChI=1S/C9H14N2O.C2H6/c1-3-6-10-9(12)8-5-4-7-11(8)2;1-2/h4-5,7H,3,6H2,1-2H3,(H,10,12);1-2H3
InChIKeyXMXYYHZDKGXJQZ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.19
Rot. Bonds3

About ethane;1-methyl-N-propylpyrrole-2-carboxamide

ethane;1-methyl-N-propylpyrrole-2-carboxamide (PubChem CID 143101069) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is ethane;1-methyl-N-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Nameethane;1-methyl-N-propylpyrrole-2-carboxamide
PubChem CID143101069
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Nameethane;1-methyl-N-propylpyrrole-2-carboxamide
SMILESCC.CCCNC(=O)c1cccn1C
InChIInChI=1S/C9H14N2O.C2H6/c1-3-6-10-9(12)8-5-4-7-11(8)2;1-2/h4-5,7H,3,6H2,1-2H3,(H,10,12);1-2H3
InChIKeyXMXYYHZDKGXJQZ-UHFFFAOYSA-N
XLogP2.19
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrole-2-carboxamide
CID 115699871
1-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide
CID 141062303
N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 10889774
2,2-dimethyl-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 81369355
(2S)-2-hydroxy-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 107833498
1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104955194
N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
CID 64866563
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrrole-2-carboxamide
CID 71994022
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
CID 78799397
1-methyl-N-(3-methylpentan-3-yl)pyrrole-2-carboxamide
CID 143504652
N-[5-(2-aminoethylcarbamoyl)-1-methylpyrrol-3-yl]-1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide
CID 101100175
N-(2-hydroxy-2-phenylethyl)-1-methylpyrrole-2-carboxamide
CID 43391337

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-N-propylpyrrole-2-carboxamide?
The IUPAC name of ethane;1-methyl-N-propylpyrrole-2-carboxamide (CID 143101069) is ethane;1-methyl-N-propylpyrrole-2-carboxamide.
What is the SMILES notation for ethane;1-methyl-N-propylpyrrole-2-carboxamide?
The canonical SMILES for ethane;1-methyl-N-propylpyrrole-2-carboxamide is CC.CCCNC(=O)c1cccn1C.
What is the InChIKey of ethane;1-methyl-N-propylpyrrole-2-carboxamide?
The InChIKey is XMXYYHZDKGXJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.C2H6/c1-3-6-10-9(12)8-5-4-7-11(8)2;1-2/h4-5,7H,3,6H2,1-2H3,(H,10,12);1-2H3.
What are the key properties of ethane;1-methyl-N-propylpyrrole-2-carboxamide?
ethane;1-methyl-N-propylpyrrole-2-carboxamide has a molecular weight of 196.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-N-propylpyrrole-2-carboxamide is sourced from PubChem (CID 143101069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).