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'}

Analyze formamide;3-methylidenepyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl 3-methylidenepyrrolidine-1-carboxylate
CID 141203105
2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylic acid
CID 68725346
4-(2-oxoethylidene)piperidine-1-carboxylic acid
CID 23018030
(1-methylcyclopropyl)-(4-methylidenepiperidin-1-yl)methanone
CID 126992987
3-(3-methylidenepiperidin-1-yl)-3-oxopropanamide
CID 130693121
3-ethylidenepiperidine-1-carboxylic acid
CID 174592383
2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid
CID 75409780
3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid
CID 175056798
3-amino-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxylic acid
CID 123843018
3-amino-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylic acid
CID 175025961
but-2-enedioic acid;1-methyl-4-methylidenepiperidine
CID 67948118
(3E)-3-(1-cyanoethylidene)pyrrolidine-1-carboxylic acid
CID 175197978

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).