2-(oxolan-2-ylmethylamino)-N-prop-2-enylpropanamide

C11H20N2O2 — CID 43086819

IUPAC2-(oxolan-2-ylmethylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCC1CCCO1
InChIInChI=1S/C11H20N2O2/c1-3-6-12-11(14)9(2)13-8-10-5-4-7-15-10/h3,9-10,13H,1,4-8H2,2H3,(H,12,14)
InChIKeyFQVPEIFYJCBAQQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.45
Rot. Bonds6

About 2-(oxolan-2-ylmethylamino)-N-prop-2-enylpropanamide

2-(oxolan-2-ylmethylamino)-N-prop-2-enylpropanamide (PubChem CID 43086819) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-N-prop-2-enylpropanamide
PubChem CID43086819
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(oxolan-2-ylmethylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCC1CCCO1
InChIInChI=1S/C11H20N2O2/c1-3-6-12-11(14)9(2)13-8-10-5-4-7-15-10/h3,9-10,13H,1,4-8H2,2H3,(H,12,14)
InChIKeyFQVPEIFYJCBAQQ-UHFFFAOYSA-N
XLogP0.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexylmethylamino)-N-prop-2-enylpropanamide
CID 43216208
(2S)-2-[2-(dimethylamino)ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7437265
N'-(oxolan-2-ylmethyl)-N-prop-2-enylbutanediamide
CID 51362590
N-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)propanamide
CID 60638599
N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine
CID 166665828
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
2-(oxan-2-ylmethylamino)-N-pentan-3-ylpropanamide
CID 55014476
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide
CID 94796972
2-(oxolan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 43083350
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
methyl 3-methyl-2-(oxolan-2-ylmethylamino)butanoate
CID 43386449

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-N-prop-2-enylpropanamide (CID 43086819) is 2-(oxolan-2-ylmethylamino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NCC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-N-prop-2-enylpropanamide?
The InChIKey is FQVPEIFYJCBAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-6-12-11(14)9(2)13-8-10-5-4-7-15-10/h3,9-10,13H,1,4-8H2,2H3,(H,12,14).
What are the key properties of 2-(oxolan-2-ylmethylamino)-N-prop-2-enylpropanamide?
2-(oxolan-2-ylmethylamino)-N-prop-2-enylpropanamide has a molecular weight of 212.29 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 43086819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).