3-(2-methylpropylidene)-2-oxopiperidine-1-carboxylic acid

C10H15NO3 — CID 118679051

IUPAC3-(2-methylpropylidene)-2-oxopiperidine-1-carboxylic acid
SMILESCC(C)C=C1CCCN(C(=O)O)C1=O
InChIInChI=1S/C10H15NO3/c1-7(2)6-8-4-3-5-11(9(8)12)10(13)14/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyKIYTWRZWMRVIKH-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.87
Rot. Bonds1

About 3-(2-methylpropylidene)-2-oxopiperidine-1-carboxylic acid

3-(2-methylpropylidene)-2-oxopiperidine-1-carboxylic acid (PubChem CID 118679051) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(2-methylpropylidene)-2-oxopiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylpropylidene)-2-oxopiperidine-1-carboxylic acid
PubChem CID118679051
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-(2-methylpropylidene)-2-oxopiperidine-1-carboxylic acid
SMILESCC(C)C=C1CCCN(C(=O)O)C1=O
InChIInChI=1S/C10H15NO3/c1-7(2)6-8-4-3-5-11(9(8)12)10(13)14/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyKIYTWRZWMRVIKH-UHFFFAOYSA-N
XLogP1.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylidene)-2-oxopiperidine-1-carboxylic acid?
The IUPAC name of 3-(2-methylpropylidene)-2-oxopiperidine-1-carboxylic acid (CID 118679051) is 3-(2-methylpropylidene)-2-oxopiperidine-1-carboxylic acid.
What is the SMILES notation for 3-(2-methylpropylidene)-2-oxopiperidine-1-carboxylic acid?
The canonical SMILES for 3-(2-methylpropylidene)-2-oxopiperidine-1-carboxylic acid is CC(C)C=C1CCCN(C(=O)O)C1=O.
What is the InChIKey of 3-(2-methylpropylidene)-2-oxopiperidine-1-carboxylic acid?
The InChIKey is KIYTWRZWMRVIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(2)6-8-4-3-5-11(9(8)12)10(13)14/h6-7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 3-(2-methylpropylidene)-2-oxopiperidine-1-carboxylic acid?
3-(2-methylpropylidene)-2-oxopiperidine-1-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylidene)-2-oxopiperidine-1-carboxylic acid is sourced from PubChem (CID 118679051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).