N,3-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxamide

C7H12N2O — CID 58083642

IUPACN,3-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxamide
SMILESCNC(=O)C1N=CCC1C
InChIInChI=1S/C7H12N2O/c1-5-3-4-9-6(5)7(10)8-2/h4-6H,3H2,1-2H3,(H,8,10)
InChIKeyCOHLMEQGNDTZIE-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.21
Rot. Bonds1

About N,3-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxamide

N,3-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxamide (PubChem CID 58083642) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N,3-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxamide
PubChem CID58083642
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN,3-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxamide
SMILESCNC(=O)C1N=CCC1C
InChIInChI=1S/C7H12N2O/c1-5-3-4-9-6(5)7(10)8-2/h4-6H,3H2,1-2H3,(H,8,10)
InChIKeyCOHLMEQGNDTZIE-UHFFFAOYSA-N
XLogP0.21
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxamide?
The IUPAC name of N,3-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxamide (CID 58083642) is N,3-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxamide.
What is the SMILES notation for N,3-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxamide?
The canonical SMILES for N,3-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxamide is CNC(=O)C1N=CCC1C.
What is the InChIKey of N,3-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxamide?
The InChIKey is COHLMEQGNDTZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5-3-4-9-6(5)7(10)8-2/h4-6H,3H2,1-2H3,(H,8,10).
What are the key properties of N,3-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxamide?
N,3-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxamide has a molecular weight of 140.19 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxamide is sourced from PubChem (CID 58083642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).