methyl 2-(3-oxopropyl)pyrrolidine-2-carboxylate

C9H15NO3 — CID 88978022

IUPACmethyl 2-(3-oxopropyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1(CCC=O)CCCN1
InChIInChI=1S/C9H15NO3/c1-13-8(12)9(5-3-7-11)4-2-6-10-9/h7,10H,2-6H2,1H3
InChIKeyQBBGCWSDSTWJHP-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.26
Rot. Bonds4

About methyl 2-(3-oxopropyl)pyrrolidine-2-carboxylate

methyl 2-(3-oxopropyl)pyrrolidine-2-carboxylate (PubChem CID 88978022) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 2-(3-oxopropyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-oxopropyl)pyrrolidine-2-carboxylate
PubChem CID88978022
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 2-(3-oxopropyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1(CCC=O)CCCN1
InChIInChI=1S/C9H15NO3/c1-13-8(12)9(5-3-7-11)4-2-6-10-9/h7,10H,2-6H2,1H3
InChIKeyQBBGCWSDSTWJHP-UHFFFAOYSA-N
XLogP0.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-propylpiperidine-2-carboxylate
CID 95169858
methyl 2-hexylpyrrolidine-2-carboxylate
CID 123305776
methyl 2-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 115103287
methyl 2-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-2-carboxylate
CID 117272108
2-(2-methoxyethoxy)ethyl 2-propylpyrrolidine-2-carboxylate
CID 106978134
methyl 2-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2-carboxylate
CID 115103207
methyl 2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylate
CID 115103188
methyl 2-oxo-1-(3-oxopropyl)cyclohexane-1-carboxylate
CID 11806001
methyl (2S)-2-(trifluoromethyl)pyrrolidine-2-carboxylate
CID 72698830
N-(1-methoxybutan-2-yl)-2-propylpyrrolidine-2-carboxamide
CID 106975300
N-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide
CID 106974916
2-ethylhexyl 2-propylpyrrolidine-2-carboxylate
CID 106978103

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-oxopropyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 2-(3-oxopropyl)pyrrolidine-2-carboxylate (CID 88978022) is methyl 2-(3-oxopropyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 2-(3-oxopropyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 2-(3-oxopropyl)pyrrolidine-2-carboxylate is COC(=O)C1(CCC=O)CCCN1.
What is the InChIKey of methyl 2-(3-oxopropyl)pyrrolidine-2-carboxylate?
The InChIKey is QBBGCWSDSTWJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-13-8(12)9(5-3-7-11)4-2-6-10-9/h7,10H,2-6H2,1H3.
What are the key properties of methyl 2-(3-oxopropyl)pyrrolidine-2-carboxylate?
methyl 2-(3-oxopropyl)pyrrolidine-2-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-oxopropyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 88978022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).