2-hydroxyiminoethyl(prop-2-enyl)carbamic acid

C6H10N2O3 — CID 174156187

IUPAC2-hydroxyiminoethyl(prop-2-enyl)carbamic acid
SMILESC=CCN(CC=NO)C(=O)O
InChIInChI=1S/C6H10N2O3/c1-2-4-8(6(9)10)5-3-7-11/h2-3,11H,1,4-5H2,(H,9,10)
InChIKeyTVLAOCRIJDZAJK-UHFFFAOYSA-N
MW158.16 g/mol
LogP0.61
Rot. Bonds4

About 2-hydroxyiminoethyl(prop-2-enyl)carbamic acid

2-hydroxyiminoethyl(prop-2-enyl)carbamic acid (PubChem CID 174156187) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-hydroxyiminoethyl(prop-2-enyl)carbamic acid.

Molecular Properties

Compound Name2-hydroxyiminoethyl(prop-2-enyl)carbamic acid
PubChem CID174156187
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name2-hydroxyiminoethyl(prop-2-enyl)carbamic acid
SMILESC=CCN(CC=NO)C(=O)O
InChIInChI=1S/C6H10N2O3/c1-2-4-8(6(9)10)5-3-7-11/h2-3,11H,1,4-5H2,(H,9,10)
InChIKeyTVLAOCRIJDZAJK-UHFFFAOYSA-N
XLogP0.61
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-oxoethyl(prop-2-enyl)carbamic acid
CID 22125686
CID 140859392
CID 140859392
N,N-bis(prop-2-enyl)carbamoyl fluoride
CID 21354913
(Z)-2-[bis(prop-2-enyl)amino]but-2-enedioic acid
CID 87691672
N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid
CID 173029925
(Z)-3-[bis(prop-2-enyl)amino]but-2-enoic acid
CID 21432845
2-hydroxy-N,N-bis(prop-2-enyl)acetamide
CID 13241436
[(2Z)-2-hydroxyimino-2-(1,2-thiazol-5-yl)ethyl]-prop-2-enylcarbamic acid
CID 136621893
[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phosphonic acid
CID 88512843
4-[bis(prop-2-enyl)amino]-3,4-dioxobutanoic acid
CID 20633701
2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid
CID 79256407
carbonic acid;N,N-dihydroxyprop-2-en-1-amine
CID 129188900

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyiminoethyl(prop-2-enyl)carbamic acid?
The IUPAC name of 2-hydroxyiminoethyl(prop-2-enyl)carbamic acid (CID 174156187) is 2-hydroxyiminoethyl(prop-2-enyl)carbamic acid.
What is the SMILES notation for 2-hydroxyiminoethyl(prop-2-enyl)carbamic acid?
The canonical SMILES for 2-hydroxyiminoethyl(prop-2-enyl)carbamic acid is C=CCN(CC=NO)C(=O)O.
What is the InChIKey of 2-hydroxyiminoethyl(prop-2-enyl)carbamic acid?
The InChIKey is TVLAOCRIJDZAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-2-4-8(6(9)10)5-3-7-11/h2-3,11H,1,4-5H2,(H,9,10).
What are the key properties of 2-hydroxyiminoethyl(prop-2-enyl)carbamic acid?
2-hydroxyiminoethyl(prop-2-enyl)carbamic acid has a molecular weight of 158.16 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyiminoethyl(prop-2-enyl)carbamic acid is sourced from PubChem (CID 174156187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).