prop-2-ynyl N-(4-hydroxyoxolan-3-yl)carbamate

C8H11NO4 — CID 130751512

IUPACprop-2-ynyl N-(4-hydroxyoxolan-3-yl)carbamate
SMILESC#CCOC(=O)NC1COCC1O
InChIInChI=1S/C8H11NO4/c1-2-3-13-8(11)9-6-4-12-5-7(6)10/h1,6-7,10H,3-5H2,(H,9,11)
InChIKeyYJVYUWXCDBBRIX-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.89
Rot. Bonds2

About prop-2-ynyl N-(4-hydroxyoxolan-3-yl)carbamate

prop-2-ynyl N-(4-hydroxyoxolan-3-yl)carbamate (PubChem CID 130751512) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is prop-2-ynyl N-(4-hydroxyoxolan-3-yl)carbamate.

Molecular Properties

Compound Nameprop-2-ynyl N-(4-hydroxyoxolan-3-yl)carbamate
PubChem CID130751512
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Nameprop-2-ynyl N-(4-hydroxyoxolan-3-yl)carbamate
SMILESC#CCOC(=O)NC1COCC1O
InChIInChI=1S/C8H11NO4/c1-2-3-13-8(11)9-6-4-12-5-7(6)10/h1,6-7,10H,3-5H2,(H,9,11)
InChIKeyYJVYUWXCDBBRIX-UHFFFAOYSA-N
XLogP-0.89
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze prop-2-ynyl N-(4-hydroxyoxolan-3-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate
CID 130751480
9H-fluoren-9-ylmethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate
CID 130689635
prop-2-ynyl N-(4-aminocyclohexyl)carbamate
CID 130606195
benzyl N-(4-hydroxyoxolan-3-yl)carbamate;hydrochloride
CID 133063697
prop-2-ynyl N-(1-tert-butylazetidin-3-yl)carbamate
CID 89460440
2-hydroxy-N-(4-hydroxyoxolan-3-yl)acetamide
CID 130676245
prop-2-ynyl N-prop-2-ynoxycarbonylcarbamate
CID 13314992
N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide
CID 55300518
N-[(3R,4R)-4-hydroxyoxolan-3-yl]acetamide
CID 124600665
N-(4-hydroxyoxolan-3-yl)propanamide
CID 130659329
2-amino-N-(4-methyloxolan-3-yl)pent-4-ynamide
CID 164659161
prop-2-ynyl 3-methyloxolane-2-carboxylate
CID 130622028

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl N-(4-hydroxyoxolan-3-yl)carbamate?
The IUPAC name of prop-2-ynyl N-(4-hydroxyoxolan-3-yl)carbamate (CID 130751512) is prop-2-ynyl N-(4-hydroxyoxolan-3-yl)carbamate.
What is the SMILES notation for prop-2-ynyl N-(4-hydroxyoxolan-3-yl)carbamate?
The canonical SMILES for prop-2-ynyl N-(4-hydroxyoxolan-3-yl)carbamate is C#CCOC(=O)NC1COCC1O.
What is the InChIKey of prop-2-ynyl N-(4-hydroxyoxolan-3-yl)carbamate?
The InChIKey is YJVYUWXCDBBRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-2-3-13-8(11)9-6-4-12-5-7(6)10/h1,6-7,10H,3-5H2,(H,9,11).
What are the key properties of prop-2-ynyl N-(4-hydroxyoxolan-3-yl)carbamate?
prop-2-ynyl N-(4-hydroxyoxolan-3-yl)carbamate has a molecular weight of 185.18 g/mol, XLogP of -0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl N-(4-hydroxyoxolan-3-yl)carbamate is sourced from PubChem (CID 130751512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).