formamide;3-methylidenepyrrolidine-1-carboxylic acid

C7H12N2O3 — CID 174681918

IUPACformamide;3-methylidenepyrrolidine-1-carboxylic acid
SMILESC=C1CCN(C(=O)O)C1.NC=O
InChIInChI=1S/C6H9NO2.CH3NO/c1-5-2-3-7(4-5)6(8)9;2-1-3/h1-4H2,(H,8,9);1H,(H2,2,3)
InChIKeyMMELNTDHAZILRQ-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.03
Rot. Bonds

About formamide;3-methylidenepyrrolidine-1-carboxylic acid

formamide;3-methylidenepyrrolidine-1-carboxylic acid (PubChem CID 174681918) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is formamide;3-methylidenepyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Nameformamide;3-methylidenepyrrolidine-1-carboxylic acid
PubChem CID174681918
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Nameformamide;3-methylidenepyrrolidine-1-carboxylic acid
SMILESC=C1CCN(C(=O)O)C1.NC=O
InChIInChI=1S/C6H9NO2.CH3NO/c1-5-2-3-7(4-5)6(8)9;2-1-3/h1-4H2,(H,8,9);1H,(H2,2,3)
InChIKeyMMELNTDHAZILRQ-UHFFFAOYSA-N
XLogP0.03
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formamide;3-methylidenepyrrolidine-1-carboxylic acid?
The IUPAC name of formamide;3-methylidenepyrrolidine-1-carboxylic acid (CID 174681918) is formamide;3-methylidenepyrrolidine-1-carboxylic acid.
What is the SMILES notation for formamide;3-methylidenepyrrolidine-1-carboxylic acid?
The canonical SMILES for formamide;3-methylidenepyrrolidine-1-carboxylic acid is C=C1CCN(C(=O)O)C1.NC=O.
What is the InChIKey of formamide;3-methylidenepyrrolidine-1-carboxylic acid?
The InChIKey is MMELNTDHAZILRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2.CH3NO/c1-5-2-3-7(4-5)6(8)9;2-1-3/h1-4H2,(H,8,9);1H,(H2,2,3).
What are the key properties of formamide;3-methylidenepyrrolidine-1-carboxylic acid?
formamide;3-methylidenepyrrolidine-1-carboxylic acid has a molecular weight of 172.18 g/mol, XLogP of 0.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;3-methylidenepyrrolidine-1-carboxylic acid is sourced from PubChem (CID 174681918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).