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

C10H18N2O — CID 89164505

IUPACN-ethyl-1,2,5-trimethyl-2,3-dihydropyrrole-3-carboxamide
SMILESCCNC(=O)C1C=C(C)N(C)C1C
InChIInChI=1S/C10H18N2O/c1-5-11-10(13)9-6-7(2)12(4)8(9)3/h6,8-9H,5H2,1-4H3,(H,11,13)
InChIKeyZVTDUPIGNGZEER-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.98
Rot. Bonds2

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

N-ethyl-1,2,5-trimethyl-2,3-dihydropyrrole-3-carboxamide (PubChem CID 89164505) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-ethyl-1,2,5-trimethyl-2,3-dihydropyrrole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1,2,5-trimethyl-2,3-dihydropyrrole-3-carboxamide
PubChem CID89164505
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-ethyl-1,2,5-trimethyl-2,3-dihydropyrrole-3-carboxamide
SMILESCCNC(=O)C1C=C(C)N(C)C1C
InChIInChI=1S/C10H18N2O/c1-5-11-10(13)9-6-7(2)12(4)8(9)3/h6,8-9H,5H2,1-4H3,(H,11,13)
InChIKeyZVTDUPIGNGZEER-UHFFFAOYSA-N
XLogP0.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,2,5-trimethyl-2,3-dihydropyrrole-3-carboxamide?
The IUPAC name of N-ethyl-1,2,5-trimethyl-2,3-dihydropyrrole-3-carboxamide (CID 89164505) is N-ethyl-1,2,5-trimethyl-2,3-dihydropyrrole-3-carboxamide.
What is the SMILES notation for N-ethyl-1,2,5-trimethyl-2,3-dihydropyrrole-3-carboxamide?
The canonical SMILES for N-ethyl-1,2,5-trimethyl-2,3-dihydropyrrole-3-carboxamide is CCNC(=O)C1C=C(C)N(C)C1C.
What is the InChIKey of N-ethyl-1,2,5-trimethyl-2,3-dihydropyrrole-3-carboxamide?
The InChIKey is ZVTDUPIGNGZEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-5-11-10(13)9-6-7(2)12(4)8(9)3/h6,8-9H,5H2,1-4H3,(H,11,13).
What are the key properties of N-ethyl-1,2,5-trimethyl-2,3-dihydropyrrole-3-carboxamide?
N-ethyl-1,2,5-trimethyl-2,3-dihydropyrrole-3-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,2,5-trimethyl-2,3-dihydropyrrole-3-carboxamide is sourced from PubChem (CID 89164505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).