3-(dimethylamino)-N-ethylcyclopenta-2,4-diene-1-carboxamide

C10H16N2O — CID 143838215

IUPAC3-(dimethylamino)-N-ethylcyclopenta-2,4-diene-1-carboxamide
SMILESCCNC(=O)C1C=CC(N(C)C)=C1
InChIInChI=1S/C10H16N2O/c1-4-11-10(13)8-5-6-9(7-8)12(2)3/h5-8H,4H2,1-3H3,(H,11,13)
InChIKeyRZXJOOWXZPHKND-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.75
Rot. Bonds3

About 3-(dimethylamino)-N-ethylcyclopenta-2,4-diene-1-carboxamide

3-(dimethylamino)-N-ethylcyclopenta-2,4-diene-1-carboxamide (PubChem CID 143838215) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(dimethylamino)-N-ethylcyclopenta-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-ethylcyclopenta-2,4-diene-1-carboxamide
PubChem CID143838215
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-(dimethylamino)-N-ethylcyclopenta-2,4-diene-1-carboxamide
SMILESCCNC(=O)C1C=CC(N(C)C)=C1
InChIInChI=1S/C10H16N2O/c1-4-11-10(13)8-5-6-9(7-8)12(2)3/h5-8H,4H2,1-3H3,(H,11,13)
InChIKeyRZXJOOWXZPHKND-UHFFFAOYSA-N
XLogP0.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-ethylcyclopenta-2,4-diene-1-carboxamide?
The IUPAC name of 3-(dimethylamino)-N-ethylcyclopenta-2,4-diene-1-carboxamide (CID 143838215) is 3-(dimethylamino)-N-ethylcyclopenta-2,4-diene-1-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-N-ethylcyclopenta-2,4-diene-1-carboxamide?
The canonical SMILES for 3-(dimethylamino)-N-ethylcyclopenta-2,4-diene-1-carboxamide is CCNC(=O)C1C=CC(N(C)C)=C1.
What is the InChIKey of 3-(dimethylamino)-N-ethylcyclopenta-2,4-diene-1-carboxamide?
The InChIKey is RZXJOOWXZPHKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-11-10(13)8-5-6-9(7-8)12(2)3/h5-8H,4H2,1-3H3,(H,11,13).
What are the key properties of 3-(dimethylamino)-N-ethylcyclopenta-2,4-diene-1-carboxamide?
3-(dimethylamino)-N-ethylcyclopenta-2,4-diene-1-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-ethylcyclopenta-2,4-diene-1-carboxamide is sourced from PubChem (CID 143838215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).