N,N,1,3,5-pentamethyl-2,3-dihydropyrrole-4-carboxamide

C10H18N2O — CID 18620008

IUPACN,N,1,3,5-pentamethyl-2,3-dihydropyrrole-4-carboxamide
SMILESCC1=C(C(=O)N(C)C)C(C)CN1C
InChIInChI=1S/C10H18N2O/c1-7-6-12(5)8(2)9(7)10(13)11(3)4/h7H,6H2,1-5H3
InChIKeyBBEMJPUMACPROO-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.93
Rot. Bonds1

About N,N,1,3,5-pentamethyl-2,3-dihydropyrrole-4-carboxamide

N,N,1,3,5-pentamethyl-2,3-dihydropyrrole-4-carboxamide (PubChem CID 18620008) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N,N,1,3,5-pentamethyl-2,3-dihydropyrrole-4-carboxamide.

Molecular Properties

Compound NameN,N,1,3,5-pentamethyl-2,3-dihydropyrrole-4-carboxamide
PubChem CID18620008
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN,N,1,3,5-pentamethyl-2,3-dihydropyrrole-4-carboxamide
SMILESCC1=C(C(=O)N(C)C)C(C)CN1C
InChIInChI=1S/C10H18N2O/c1-7-6-12(5)8(2)9(7)10(13)11(3)4/h7H,6H2,1-5H3
InChIKeyBBEMJPUMACPROO-UHFFFAOYSA-N
XLogP0.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,1,3,5-pentamethyl-2,3-dihydropyrrole-4-carboxamide?
The IUPAC name of N,N,1,3,5-pentamethyl-2,3-dihydropyrrole-4-carboxamide (CID 18620008) is N,N,1,3,5-pentamethyl-2,3-dihydropyrrole-4-carboxamide.
What is the SMILES notation for N,N,1,3,5-pentamethyl-2,3-dihydropyrrole-4-carboxamide?
The canonical SMILES for N,N,1,3,5-pentamethyl-2,3-dihydropyrrole-4-carboxamide is CC1=C(C(=O)N(C)C)C(C)CN1C.
What is the InChIKey of N,N,1,3,5-pentamethyl-2,3-dihydropyrrole-4-carboxamide?
The InChIKey is BBEMJPUMACPROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7-6-12(5)8(2)9(7)10(13)11(3)4/h7H,6H2,1-5H3.
What are the key properties of N,N,1,3,5-pentamethyl-2,3-dihydropyrrole-4-carboxamide?
N,N,1,3,5-pentamethyl-2,3-dihydropyrrole-4-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,3,5-pentamethyl-2,3-dihydropyrrole-4-carboxamide is sourced from PubChem (CID 18620008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).