prop-2-enyl N,N-bis(hydroxymethyl)carbamate

C6H11NO4 — CID 54415471

IUPACprop-2-enyl N,N-bis(hydroxymethyl)carbamate
SMILESC=CCOC(=O)N(CO)CO
InChIInChI=1S/C6H11NO4/c1-2-3-11-6(10)7(4-8)5-9/h2,8-9H,1,3-5H2
InChIKeyVXCJTJXVVKBBPT-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.49
Rot. Bonds4

About prop-2-enyl N,N-bis(hydroxymethyl)carbamate

prop-2-enyl N,N-bis(hydroxymethyl)carbamate (PubChem CID 54415471) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is prop-2-enyl N,N-bis(hydroxymethyl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N,N-bis(hydroxymethyl)carbamate
PubChem CID54415471
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Nameprop-2-enyl N,N-bis(hydroxymethyl)carbamate
SMILESC=CCOC(=O)N(CO)CO
InChIInChI=1S/C6H11NO4/c1-2-3-11-6(10)7(4-8)5-9/h2,8-9H,1,3-5H2
InChIKeyVXCJTJXVVKBBPT-UHFFFAOYSA-N
XLogP-0.49
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze prop-2-enyl N,N-bis(hydroxymethyl)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

hydroxymethyl N,N-bis(hydroxymethyl)carbamate
CID 139920036
iron;prop-2-enyl N,N-bis(sulfanyl)carbamate
CID 87288667
2-[[(2S)-2,4-dimethylpentyl]-prop-2-enoxycarbonylamino]acetic acid
CID 122415386
ethane;prop-2-enyl N-ethyl-N-methylcarbamate
CID 142891984
2-[prop-2-enoxycarbonyl-[3-(prop-2-enoxycarbonylamino)propyl]amino]acetic acid
CID 88501653
bis(prop-2-enyl) carbonate;ethene
CID 87465968
2,2-dimethyl-3-[methyl(prop-2-enoxycarbonyl)amino]propanoic acid
CID 164953178
prop-2-enyl N-(5-hydroxypentyl)-N-methylcarbamate
CID 107202841
2,2-dimethyl-3-[methyl(prop-2-enoxycarbonyl)amino]propanoic acid;sulfane
CID 159516913
prop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate
CID 139567559
bis(prop-2-enyl) (Z)-but-2-enedioate
CID 5354266
bis(prop-2-enyl) but-2-enedioate
CID 173228436

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N,N-bis(hydroxymethyl)carbamate?
The IUPAC name of prop-2-enyl N,N-bis(hydroxymethyl)carbamate (CID 54415471) is prop-2-enyl N,N-bis(hydroxymethyl)carbamate.
What is the SMILES notation for prop-2-enyl N,N-bis(hydroxymethyl)carbamate?
The canonical SMILES for prop-2-enyl N,N-bis(hydroxymethyl)carbamate is C=CCOC(=O)N(CO)CO.
What is the InChIKey of prop-2-enyl N,N-bis(hydroxymethyl)carbamate?
The InChIKey is VXCJTJXVVKBBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-2-3-11-6(10)7(4-8)5-9/h2,8-9H,1,3-5H2.
What are the key properties of prop-2-enyl N,N-bis(hydroxymethyl)carbamate?
prop-2-enyl N,N-bis(hydroxymethyl)carbamate has a molecular weight of 161.16 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N,N-bis(hydroxymethyl)carbamate is sourced from PubChem (CID 54415471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).