N,N,2-trimethyl-2H-pyrrole-5-carboxamide

C8H12N2O — CID 118540820

IUPACN,N,2-trimethyl-2H-pyrrole-5-carboxamide
SMILESCC1C=CC(C(=O)N(C)C)=N1
InChIInChI=1S/C8H12N2O/c1-6-4-5-7(9-6)8(11)10(2)3/h4-6H,1-3H3
InChIKeyBSQRROBUMREBDJ-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.47
Rot. Bonds1

About N,N,2-trimethyl-2H-pyrrole-5-carboxamide

N,N,2-trimethyl-2H-pyrrole-5-carboxamide (PubChem CID 118540820) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N,N,2-trimethyl-2H-pyrrole-5-carboxamide.

Molecular Properties

Compound NameN,N,2-trimethyl-2H-pyrrole-5-carboxamide
PubChem CID118540820
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN,N,2-trimethyl-2H-pyrrole-5-carboxamide
SMILESCC1C=CC(C(=O)N(C)C)=N1
InChIInChI=1S/C8H12N2O/c1-6-4-5-7(9-6)8(11)10(2)3/h4-6H,1-3H3
InChIKeyBSQRROBUMREBDJ-UHFFFAOYSA-N
XLogP0.47
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-2-imino-N-methyl-N-propan-2-ylpent-3-enamide
CID 123921962
N,N-diethyl-2,3-dihydropyridine-6-carboxamide
CID 123947366
N-propan-2-yl-2H-pyrrole-5-carboxamide
CID 134452772
N-ethyl-N,2-dimethyl-2,3-dihydropyridine-6-carboxamide
CID 143639624
N,N,4-trimethyl-2H-pyrrole-5-carboxamide
CID 157205591
N-methyl-2H-pyrrole-5-carboxamide
CID 151822544
N,N-dimethyl-2H-pyrrole-5-carboxamide
CID 152692518
N,N-dimethyl-3-propan-2-yl-2H-pyrrole-5-carboxamide
CID 157182491
(Z)-2-ethylimino-N-methylpent-3-enamide
CID 168913346

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-2H-pyrrole-5-carboxamide?
The IUPAC name of N,N,2-trimethyl-2H-pyrrole-5-carboxamide (CID 118540820) is N,N,2-trimethyl-2H-pyrrole-5-carboxamide.
What is the SMILES notation for N,N,2-trimethyl-2H-pyrrole-5-carboxamide?
The canonical SMILES for N,N,2-trimethyl-2H-pyrrole-5-carboxamide is CC1C=CC(C(=O)N(C)C)=N1.
What is the InChIKey of N,N,2-trimethyl-2H-pyrrole-5-carboxamide?
The InChIKey is BSQRROBUMREBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-4-5-7(9-6)8(11)10(2)3/h4-6H,1-3H3.
What are the key properties of N,N,2-trimethyl-2H-pyrrole-5-carboxamide?
N,N,2-trimethyl-2H-pyrrole-5-carboxamide has a molecular weight of 152.20 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-2H-pyrrole-5-carboxamide is sourced from PubChem (CID 118540820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).