1-formyl-N-methylpyrrolidine-3-carboxamide

C7H12N2O2 — CID 87281380

IUPAC1-formyl-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(C=O)C1
InChIInChI=1S/C7H12N2O2/c1-8-7(11)6-2-3-9(4-6)5-10/h5-6H,2-4H2,1H3,(H,8,11)
InChIKeyRDMRPOIOBPDZRX-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.79
Rot. Bonds2

About 1-formyl-N-methylpyrrolidine-3-carboxamide

1-formyl-N-methylpyrrolidine-3-carboxamide (PubChem CID 87281380) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-formyl-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-formyl-N-methylpyrrolidine-3-carboxamide
PubChem CID87281380
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name1-formyl-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(C=O)C1
InChIInChI=1S/C7H12N2O2/c1-8-7(11)6-2-3-9(4-6)5-10/h5-6H,2-4H2,1H3,(H,8,11)
InChIKeyRDMRPOIOBPDZRX-UHFFFAOYSA-N
XLogP-0.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-formylpyrrolidine-3-carboxylic acid
CID 90895028
3-[4-(methylcarbamoyl)piperidin-1-yl]prop-2-enoic acid
CID 79895989
1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane
CID 171808100
(3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide
CID 130272211
(3R)-1-tert-butyl-N-methylpyrrolidine-3-carboxamide
CID 129035159
N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814
N-methyl-1-sulfanylpiperidine-4-carboxamide
CID 88912319
1-(cyanomethyl)-N-methylpyrrolidine-3-carboxamide
CID 131219478
1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 60637060
N-butyl-1-formylpiperidine-4-carboxamide
CID 64992513
3-hydroxypyrrolidine-1-carbaldehyde
CID 14456871
1-tert-butyl-N-methylpiperidine-3-carboxamide
CID 165376853

Frequently Asked Questions

What is the IUPAC name of 1-formyl-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-formyl-N-methylpyrrolidine-3-carboxamide (CID 87281380) is 1-formyl-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-formyl-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-formyl-N-methylpyrrolidine-3-carboxamide is CNC(=O)C1CCN(C=O)C1.
What is the InChIKey of 1-formyl-N-methylpyrrolidine-3-carboxamide?
The InChIKey is RDMRPOIOBPDZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-8-7(11)6-2-3-9(4-6)5-10/h5-6H,2-4H2,1H3,(H,8,11).
What are the key properties of 1-formyl-N-methylpyrrolidine-3-carboxamide?
1-formyl-N-methylpyrrolidine-3-carboxamide has a molecular weight of 156.19 g/mol, XLogP of -0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formyl-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 87281380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).