2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperidine

C12H19NO3 — CID 87387028

IUPAC2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperidine
SMILESC1CCNCC1.O=C=C1CCCC1C(=O)O
InChIInChI=1S/C7H8O3.C5H11N/c8-4-5-2-1-3-6(5)7(9)10;1-2-4-6-5-3-1/h6H,1-3H2,(H,9,10);6H,1-5H2
InChIKeyWJZFBYXUNRMKPX-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.39
Rot. Bonds1

About 2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperidine

2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperidine (PubChem CID 87387028) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperidine.

Molecular Properties

Compound Name2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperidine
PubChem CID87387028
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperidine
SMILESC1CCNCC1.O=C=C1CCCC1C(=O)O
InChIInChI=1S/C7H8O3.C5H11N/c8-4-5-2-1-3-6(5)7(9)10;1-2-4-6-5-3-1/h6H,1-3H2,(H,9,10);6H,1-5H2
InChIKeyWJZFBYXUNRMKPX-UHFFFAOYSA-N
XLogP1.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-Vinyl-4-piperidinyl)propanoic acid
CID 24973475
4-(Oxomethylidene)cyclohexane-1-carboxylic acid;piperidine
CID 87385758
2-(Oxomethylidene)cyclopentane-1-carboxylic acid;piperazine
CID 87386883
2-(Piperidin-4-ylmethyl)prop-2-enoic acid
CID 89154560
5-(Piperidin-4-ylmethyl)hex-5-enoic acid
CID 167244892
5-Piperidin-4-ylhex-5-enoic acid
CID 167245030
2-Piperidin-3-ylbuta-2,3-dienoic acid
CID 176520557
3-[(3S,4S)-3-ethenylpiperidin-4-yl]propanoic acid
CID 98615365
3-[(3R,4R)-3-ethenylpiperidin-4-yl]propanoic acid
CID 98615370
4-Methyl-6-(3-methylbut-3-enylamino)hexanoic acid
CID 114473193
3-Piperidin-4-ylbut-3-enoic acid
CID 117268302
Methyl 3-piperidin-4-ylbut-3-enoate
CID 117268304

Frequently Asked Questions

What is the IUPAC name of 2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperidine?
The IUPAC name of 2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperidine (CID 87387028) is 2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperidine.
What is the SMILES notation for 2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperidine?
The canonical SMILES for 2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperidine is C1CCNCC1.O=C=C1CCCC1C(=O)O.
What is the InChIKey of 2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperidine?
The InChIKey is WJZFBYXUNRMKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3.C5H11N/c8-4-5-2-1-3-6(5)7(9)10;1-2-4-6-5-3-1/h6H,1-3H2,(H,9,10);6H,1-5H2.
What are the key properties of 2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperidine?
2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperidine has a molecular weight of 225.29 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperidine is sourced from PubChem (CID 87387028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).