oxalic acid;1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-one

C14H18N2O5 — CID 71442189

IUPACoxalic acid;1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCC1)c1ccccn1.O=C(O)C(=O)O
InChIInChI=1S/C12H16N2O.C2H2O4/c15-12(11-5-1-2-7-13-11)6-10-14-8-3-4-9-14;3-1(4)2(5)6/h1-2,5,7H,3-4,6,8-10H2;(H,3,4)(H,5,6)
InChIKeyWZFBHQGNVLPQLE-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.91
Rot. Bonds4

About oxalic acid;1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-one

oxalic acid;1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 71442189) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is oxalic acid;1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Nameoxalic acid;1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-one
PubChem CID71442189
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Nameoxalic acid;1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCC1)c1ccccn1.O=C(O)C(=O)O
InChIInChI=1S/C12H16N2O.C2H2O4/c15-12(11-5-1-2-7-13-11)6-10-14-8-3-4-9-14;3-1(4)2(5)6/h1-2,5,7H,3-4,6,8-10H2;(H,3,4)(H,5,6)
InChIKeyWZFBHQGNVLPQLE-UHFFFAOYSA-N
XLogP0.91
TPSA107.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-pyridin-2-yl-3-pyrrolidin-1-ylpropanamide
CID 110688245
1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
CID 71649612
3-amino-1-pyridin-2-ylpropan-1-one
CID 45079500
3-pyrrolidin-1-yl-1-[10-(3-pyrrolidin-1-ylpropanoyl)anthracen-9-yl]propan-1-one
CID 139708502
1-pyridin-2-yl-4-sulfanylbutan-1-one
CID 20509868
2-[(Z)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine;oxalic acid
CID 18913830
gadolinium;pyridine-2-carboxylic acid
CID 175231422
2-[4-(pyridine-2-carbonyl)piperidin-1-yl]ethyl acetate
CID 174725091
[4-(2-chloroethyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 63394596
3-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 55249403
4,4-dimethyl-1-pyridin-2-ylpentan-1-one
CID 62620197
3-[pyridin-2-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
CID 82329917

Frequently Asked Questions

What is the IUPAC name of oxalic acid;1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of oxalic acid;1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-one (CID 71442189) is oxalic acid;1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for oxalic acid;1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for oxalic acid;1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-one is O=C(CCN1CCCC1)c1ccccn1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is WZFBHQGNVLPQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.C2H2O4/c15-12(11-5-1-2-7-13-11)6-10-14-8-3-4-9-14;3-1(4)2(5)6/h1-2,5,7H,3-4,6,8-10H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-one?
oxalic acid;1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 294.31 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 71442189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).