N-[2-(oxolan-2-yl)ethyl]but-2-enamide

C10H17NO2 — CID 112727080

IUPACN-[2-(oxolan-2-yl)ethyl]but-2-enamide
SMILESCC=CC(=O)NCCC1CCCO1
InChIInChI=1S/C10H17NO2/c1-2-4-10(12)11-7-6-9-5-3-8-13-9/h2,4,9H,3,5-8H2,1H3,(H,11,12)
InChIKeyNTHLXAYCFZSCMK-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.25
Rot. Bonds4

About N-[2-(oxolan-2-yl)ethyl]but-2-enamide

N-[2-(oxolan-2-yl)ethyl]but-2-enamide (PubChem CID 112727080) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)ethyl]but-2-enamide.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)ethyl]but-2-enamide
PubChem CID112727080
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-[2-(oxolan-2-yl)ethyl]but-2-enamide
SMILESCC=CC(=O)NCCC1CCCO1
InChIInChI=1S/C10H17NO2/c1-2-4-10(12)11-7-6-9-5-3-8-13-9/h2,4,9H,3,5-8H2,1H3,(H,11,12)
InChIKeyNTHLXAYCFZSCMK-UHFFFAOYSA-N
XLogP1.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-(oxolan-2-yl)ethyl]carbamate
CID 110731266
2-ethyl-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 110731236
3-oxo-3-[2-(oxolan-2-yl)ethylamino]propanoic acid
CID 62230104
(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 107569103
(2R)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 103794477
2-bromo-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 62856863
1-cyclopropyl-3-[2-(oxan-2-yl)ethyl]urea
CID 103975410
1-(2-methylprop-2-enyl)-3-[2-(oxolan-2-yl)ethyl]urea
CID 91661489
4-hydroxy-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 79192350
methyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate
CID 110731234
4-[2-(oxolan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63782308
(E)-4-[2-(oxolan-2-yl)ethylamino]but-2-enoic acid
CID 103242463

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-yl)ethyl]but-2-enamide?
The IUPAC name of N-[2-(oxolan-2-yl)ethyl]but-2-enamide (CID 112727080) is N-[2-(oxolan-2-yl)ethyl]but-2-enamide.
What is the SMILES notation for N-[2-(oxolan-2-yl)ethyl]but-2-enamide?
The canonical SMILES for N-[2-(oxolan-2-yl)ethyl]but-2-enamide is CC=CC(=O)NCCC1CCCO1.
What is the InChIKey of N-[2-(oxolan-2-yl)ethyl]but-2-enamide?
The InChIKey is NTHLXAYCFZSCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-4-10(12)11-7-6-9-5-3-8-13-9/h2,4,9H,3,5-8H2,1H3,(H,11,12).
What are the key properties of N-[2-(oxolan-2-yl)ethyl]but-2-enamide?
N-[2-(oxolan-2-yl)ethyl]but-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-yl)ethyl]but-2-enamide is sourced from PubChem (CID 112727080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).