oxalic acid;N-(1-prop-2-enylpyrrolidin-3-yl)propanamide

C12H20N2O5 — CID 21128373

IUPACoxalic acid;N-(1-prop-2-enylpyrrolidin-3-yl)propanamide
SMILESC=CCN1CCC(NC(=O)CC)C1.O=C(O)C(=O)O
InChIInChI=1S/C10H18N2O.C2H2O4/c1-3-6-12-7-5-9(8-12)11-10(13)4-2;3-1(4)2(5)6/h3,9H,1,4-8H2,2H3,(H,11,13);(H,3,4)(H,5,6)
InChIKeyHBLMVNMPOMKELJ-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.07
Rot. Bonds4

About oxalic acid;N-(1-prop-2-enylpyrrolidin-3-yl)propanamide

oxalic acid;N-(1-prop-2-enylpyrrolidin-3-yl)propanamide (PubChem CID 21128373) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is oxalic acid;N-(1-prop-2-enylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Nameoxalic acid;N-(1-prop-2-enylpyrrolidin-3-yl)propanamide
PubChem CID21128373
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Nameoxalic acid;N-(1-prop-2-enylpyrrolidin-3-yl)propanamide
SMILESC=CCN1CCC(NC(=O)CC)C1.O=C(O)C(=O)O
InChIInChI=1S/C10H18N2O.C2H2O4/c1-3-6-12-7-5-9(8-12)11-10(13)4-2;3-1(4)2(5)6/h3,9H,1,4-8H2,2H3,(H,11,13);(H,3,4)(H,5,6)
InChIKeyHBLMVNMPOMKELJ-UHFFFAOYSA-N
XLogP-0.07
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(1-prop-2-enylpiperidin-4-yl)butanamide
CID 119879124
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CID 96549596
ethane;N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide
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N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]propanamide
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3-[3-(propanoylamino)piperidin-1-yl]propanoic acid;hydrochloride
CID 71933075
oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915
oxalic acid;N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 118877840
N-(1-ethylpyrrolidin-3-yl)prop-2-enamide
CID 130959352
N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 71193586
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanamide
CID 110871450
7-amino-N-(1-prop-2-enylpiperidin-4-yl)heptanamide
CID 119879080
3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
CID 51081790

Frequently Asked Questions

What is the IUPAC name of oxalic acid;N-(1-prop-2-enylpyrrolidin-3-yl)propanamide?
The IUPAC name of oxalic acid;N-(1-prop-2-enylpyrrolidin-3-yl)propanamide (CID 21128373) is oxalic acid;N-(1-prop-2-enylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for oxalic acid;N-(1-prop-2-enylpyrrolidin-3-yl)propanamide?
The canonical SMILES for oxalic acid;N-(1-prop-2-enylpyrrolidin-3-yl)propanamide is C=CCN1CCC(NC(=O)CC)C1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;N-(1-prop-2-enylpyrrolidin-3-yl)propanamide?
The InChIKey is HBLMVNMPOMKELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.C2H2O4/c1-3-6-12-7-5-9(8-12)11-10(13)4-2;3-1(4)2(5)6/h3,9H,1,4-8H2,2H3,(H,11,13);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;N-(1-prop-2-enylpyrrolidin-3-yl)propanamide?
oxalic acid;N-(1-prop-2-enylpyrrolidin-3-yl)propanamide has a molecular weight of 272.30 g/mol, XLogP of -0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;N-(1-prop-2-enylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 21128373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).