N-[3-hydroxy-1-(oxolan-2-yl)propyl]-2-methylprop-2-enamide

C11H19NO3 — CID 178173984

IUPACN-[3-hydroxy-1-(oxolan-2-yl)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(CCO)C1CCCO1
InChIInChI=1S/C11H19NO3/c1-8(2)11(14)12-9(5-6-13)10-4-3-7-15-10/h9-10,13H,1,3-7H2,2H3,(H,12,14)
InChIKeyZOHYYYGCPQZEQB-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.61
Rot. Bonds5

About N-[3-hydroxy-1-(oxolan-2-yl)propyl]-2-methylprop-2-enamide

N-[3-hydroxy-1-(oxolan-2-yl)propyl]-2-methylprop-2-enamide (PubChem CID 178173984) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[3-hydroxy-1-(oxolan-2-yl)propyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-(oxolan-2-yl)propyl]-2-methylprop-2-enamide
PubChem CID178173984
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC NameN-[3-hydroxy-1-(oxolan-2-yl)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(CCO)C1CCCO1
InChIInChI=1S/C11H19NO3/c1-8(2)11(14)12-9(5-6-13)10-4-3-7-15-10/h9-10,13H,1,3-7H2,2H3,(H,12,14)
InChIKeyZOHYYYGCPQZEQB-UHFFFAOYSA-N
XLogP0.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.61
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-(oxolan-2-yl)propyl]acetamide
CID 130615261
1-(1-hydroxy-4-methylpentan-3-yl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 111504834
1-(1-hydroxypentan-3-yl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 111454546
1-(oxolan-2-yl)propane-1,3-diol
CID 119055061
N-[4-[[(1R)-1-[(2R)-oxolan-2-yl]propyl]amino]cyclohexyl]acetamide
CID 99634980
2-(ethylamino)-2-(oxolan-2-yl)ethanol
CID 82838374
4-amino-2-methyl-N-[1-(oxolan-2-yl)ethyl]butanamide
CID 80542445
1-[(3S)-hex-5-en-3-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea
CID 129433389
tert-butyl N-[1-(oxolan-2-yl)propyl]carbamate
CID 90885725
3-(oxolan-2-yl)butanoic acid
CID 3727496
1-(oxolan-2-yl)-N-propan-2-ylethane-1,2-diamine
CID 82835407
(3S)-3-[(2S)-oxolan-2-yl]butanoic acid
CID 791005

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-(oxolan-2-yl)propyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-hydroxy-1-(oxolan-2-yl)propyl]-2-methylprop-2-enamide (CID 178173984) is N-[3-hydroxy-1-(oxolan-2-yl)propyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-hydroxy-1-(oxolan-2-yl)propyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-hydroxy-1-(oxolan-2-yl)propyl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(CCO)C1CCCO1.
What is the InChIKey of N-[3-hydroxy-1-(oxolan-2-yl)propyl]-2-methylprop-2-enamide?
The InChIKey is ZOHYYYGCPQZEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)11(14)12-9(5-6-13)10-4-3-7-15-10/h9-10,13H,1,3-7H2,2H3,(H,12,14).
What are the key properties of N-[3-hydroxy-1-(oxolan-2-yl)propyl]-2-methylprop-2-enamide?
N-[3-hydroxy-1-(oxolan-2-yl)propyl]-2-methylprop-2-enamide has a molecular weight of 213.28 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-(oxolan-2-yl)propyl]-2-methylprop-2-enamide is sourced from PubChem (CID 178173984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).