(E)-prop-1-en-1-ol;urea

C4H10N2O2 — CID 87083567

IUPAC(E)-prop-1-en-1-ol;urea
SMILESC/C=C/O.NC(N)=O
InChIInChI=1S/C3H6O.CH4N2O/c1-2-3-4;2-1(3)4/h2-4H,1H3;(H4,2,3,4)/b3-2+;
InChIKeyLBDICNZGUIBRGP-SQQVDAMQSA-N
MW118.14 g/mol
LogP0.10
Rot. Bonds

About (E)-prop-1-en-1-ol;urea

(E)-prop-1-en-1-ol;urea (PubChem CID 87083567) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is (E)-prop-1-en-1-ol;urea.

Molecular Properties

Compound Name(E)-prop-1-en-1-ol;urea
PubChem CID87083567
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Name(E)-prop-1-en-1-ol;urea
SMILESC/C=C/O.NC(N)=O
InChIInChI=1S/C3H6O.CH4N2O/c1-2-3-4;2-1(3)4/h2-4H,1H3;(H4,2,3,4)/b3-2+;
InChIKeyLBDICNZGUIBRGP-SQQVDAMQSA-N
XLogP0.10
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

acetic acid;prop-1-en-1-ol
CID 71354158
actinium;(E)-prop-1-en-1-ol
CID 59069824
but-2-en-2-ol;urea
CID 173334764
methanol;urea
CID 174800234
diamino(113C)methanone
CID 636363
(E)-but-2-enamide;ethane
CID 145356551
(Z)-but-2-enamide;(E)-but-2-enamide;methane
CID 163931576
acetamide;formic acid
CID 19762194
(2E,4E)-hexa-2,4-dienoic acid;urea
CID 175321331
(E)-prop-1-en-1-ol;[(E)-prop-1-enyl] acetate
CID 176895749
barium(2+);urea
CID 22402807
ruthenium;urea
CID 161030938

Frequently Asked Questions

What is the IUPAC name of (E)-prop-1-en-1-ol;urea?
The IUPAC name of (E)-prop-1-en-1-ol;urea (CID 87083567) is (E)-prop-1-en-1-ol;urea.
What is the SMILES notation for (E)-prop-1-en-1-ol;urea?
The canonical SMILES for (E)-prop-1-en-1-ol;urea is C/C=C/O.NC(N)=O.
What is the InChIKey of (E)-prop-1-en-1-ol;urea?
The InChIKey is LBDICNZGUIBRGP-SQQVDAMQSA-N. The full InChI is InChI=1S/C3H6O.CH4N2O/c1-2-3-4;2-1(3)4/h2-4H,1H3;(H4,2,3,4)/b3-2+;.
What are the key properties of (E)-prop-1-en-1-ol;urea?
(E)-prop-1-en-1-ol;urea has a molecular weight of 118.14 g/mol, XLogP of 0.10, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-prop-1-en-1-ol;urea is sourced from PubChem (CID 87083567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).