N-ethyl-1-methyl-2,3-dihydropyrrole-5-carboxamide

C8H14N2O — CID 89276456

IUPACN-ethyl-1-methyl-2,3-dihydropyrrole-5-carboxamide
SMILESCCNC(=O)C1=CCCN1C
InChIInChI=1S/C8H14N2O/c1-3-9-8(11)7-5-4-6-10(7)2/h5H,3-4,6H2,1-2H3,(H,9,11)
InChIKeyCZOXOOREOWVYKK-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.34
Rot. Bonds2

About N-ethyl-1-methyl-2,3-dihydropyrrole-5-carboxamide

N-ethyl-1-methyl-2,3-dihydropyrrole-5-carboxamide (PubChem CID 89276456) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-ethyl-1-methyl-2,3-dihydropyrrole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-2,3-dihydropyrrole-5-carboxamide
PubChem CID89276456
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-ethyl-1-methyl-2,3-dihydropyrrole-5-carboxamide
SMILESCCNC(=O)C1=CCCN1C
InChIInChI=1S/C8H14N2O/c1-3-9-8(11)7-5-4-6-10(7)2/h5H,3-4,6H2,1-2H3,(H,9,11)
InChIKeyCZOXOOREOWVYKK-UHFFFAOYSA-N
XLogP0.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-2,3-dihydropyrrole-5-carboxamide?
The IUPAC name of N-ethyl-1-methyl-2,3-dihydropyrrole-5-carboxamide (CID 89276456) is N-ethyl-1-methyl-2,3-dihydropyrrole-5-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-2,3-dihydropyrrole-5-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-2,3-dihydropyrrole-5-carboxamide is CCNC(=O)C1=CCCN1C.
What is the InChIKey of N-ethyl-1-methyl-2,3-dihydropyrrole-5-carboxamide?
The InChIKey is CZOXOOREOWVYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-9-8(11)7-5-4-6-10(7)2/h5H,3-4,6H2,1-2H3,(H,9,11).
What are the key properties of N-ethyl-1-methyl-2,3-dihydropyrrole-5-carboxamide?
N-ethyl-1-methyl-2,3-dihydropyrrole-5-carboxamide has a molecular weight of 154.21 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-2,3-dihydropyrrole-5-carboxamide is sourced from PubChem (CID 89276456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).