N-[4-(prop-2-enoylamino)oxolan-3-yl]propanamide

C10H16N2O3 — CID 138622887

IUPACN-[4-(prop-2-enoylamino)oxolan-3-yl]propanamide
SMILESC=CC(=O)NC1COCC1NC(=O)CC
InChIInChI=1S/C10H16N2O3/c1-3-9(13)11-7-5-15-6-8(7)12-10(14)4-2/h3,7-8H,1,4-6H2,2H3,(H,11,13)(H,12,14)
InChIKeyNZQBJYOWXLOVPO-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.42
Rot. Bonds4

About N-[4-(prop-2-enoylamino)oxolan-3-yl]propanamide

N-[4-(prop-2-enoylamino)oxolan-3-yl]propanamide (PubChem CID 138622887) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-[4-(prop-2-enoylamino)oxolan-3-yl]propanamide.

Molecular Properties

Compound NameN-[4-(prop-2-enoylamino)oxolan-3-yl]propanamide
PubChem CID138622887
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC NameN-[4-(prop-2-enoylamino)oxolan-3-yl]propanamide
SMILESC=CC(=O)NC1COCC1NC(=O)CC
InChIInChI=1S/C10H16N2O3/c1-3-9(13)11-7-5-15-6-8(7)12-10(14)4-2/h3,7-8H,1,4-6H2,2H3,(H,11,13)(H,12,14)
InChIKeyNZQBJYOWXLOVPO-UHFFFAOYSA-N
XLogP-0.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methoxybutan-2-yl)prop-2-enamide
CID 14419449
N-(2-morpholin-4-ylpropyl)prop-2-enamide
CID 53787036
N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide
CID 58186102
N-[2-(oxolan-3-ylamino)ethyl]acetamide
CID 63331422
N-(oxolan-3-yl)prop-2-enamide
CID 80717090
N-[(3R,4S)-4-aminooxolan-3-yl]prop-2-enamide
CID 90426322
N-((3S,4R)-4-aminotetrahydrofuran-3-yl)acrylamide
CID 90457526
2-methyl-N-[4-(prop-2-enoylamino)oxolan-3-yl]propanamide
CID 117611102
N-[(3S,4R)-4-methyloxolan-3-yl]prop-2-enamide
CID 118043453
N-[(4-methylmorpholin-3-yl)methyl]prop-2-enamide
CID 118137434
Butyl 2-amino-3-(prop-2-enoylamino)propanoate
CID 118368064
Butyl 3-amino-2-(prop-2-enoylamino)propanoate
CID 118368066

Frequently Asked Questions

What is the IUPAC name of N-[4-(prop-2-enoylamino)oxolan-3-yl]propanamide?
The IUPAC name of N-[4-(prop-2-enoylamino)oxolan-3-yl]propanamide (CID 138622887) is N-[4-(prop-2-enoylamino)oxolan-3-yl]propanamide.
What is the SMILES notation for N-[4-(prop-2-enoylamino)oxolan-3-yl]propanamide?
The canonical SMILES for N-[4-(prop-2-enoylamino)oxolan-3-yl]propanamide is C=CC(=O)NC1COCC1NC(=O)CC.
What is the InChIKey of N-[4-(prop-2-enoylamino)oxolan-3-yl]propanamide?
The InChIKey is NZQBJYOWXLOVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-9(13)11-7-5-15-6-8(7)12-10(14)4-2/h3,7-8H,1,4-6H2,2H3,(H,11,13)(H,12,14).
What are the key properties of N-[4-(prop-2-enoylamino)oxolan-3-yl]propanamide?
N-[4-(prop-2-enoylamino)oxolan-3-yl]propanamide has a molecular weight of 212.25 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(prop-2-enoylamino)oxolan-3-yl]propanamide is sourced from PubChem (CID 138622887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).