(2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide

C7H12N2O — CID 67043767

IUPAC(2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1C=CCN1
InChIInChI=1S/C7H12N2O/c1-9(2)7(10)6-4-3-5-8-6/h3-4,6,8H,5H2,1-2H3/t6-/m0/s1
InChIKeyOTDFBGSUOATLMX-LURJTMIESA-N
MW140.19 g/mol
LogP-0.40
Rot. Bonds1

About (2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide

(2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 67043767) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide
PubChem CID67043767
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1C=CCN1
InChIInChI=1S/C7H12N2O/c1-9(2)7(10)6-4-3-5-8-6/h3-4,6,8H,5H2,1-2H3/t6-/m0/s1
InChIKeyOTDFBGSUOATLMX-LURJTMIESA-N
XLogP-0.40
TPSA32.34 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 ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of (2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide (CID 67043767) is (2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for (2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide is CN(C)C(=O)[C@@H]1C=CCN1.
What is the InChIKey of (2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is OTDFBGSUOATLMX-LURJTMIESA-N. The full InChI is InChI=1S/C7H12N2O/c1-9(2)7(10)6-4-3-5-8-6/h3-4,6,8H,5H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide?
(2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 140.19 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 67043767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).