1-(2-aminoethyl)-3-(3-oxoprop-1-en-2-yl)urea

C6H11N3O2 — CID 146222638

IUPAC1-(2-aminoethyl)-3-(3-oxoprop-1-en-2-yl)urea
SMILESC=C(C=O)NC(=O)NCCN
InChIInChI=1S/C6H11N3O2/c1-5(4-10)9-6(11)8-3-2-7/h4H,1-3,7H2,(H2,8,9,11)
InChIKeyHVFQXPKJCCIKKO-UHFFFAOYSA-N
MW157.17 g/mol
LogP-1.04
Rot. Bonds4

About 1-(2-aminoethyl)-3-(3-oxoprop-1-en-2-yl)urea

1-(2-aminoethyl)-3-(3-oxoprop-1-en-2-yl)urea (PubChem CID 146222638) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-(3-oxoprop-1-en-2-yl)urea.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-(3-oxoprop-1-en-2-yl)urea
PubChem CID146222638
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name1-(2-aminoethyl)-3-(3-oxoprop-1-en-2-yl)urea
SMILESC=C(C=O)NC(=O)NCCN
InChIInChI=1S/C6H11N3O2/c1-5(4-10)9-6(11)8-3-2-7/h4H,1-3,7H2,(H2,8,9,11)
InChIKeyHVFQXPKJCCIKKO-UHFFFAOYSA-N
XLogP-1.04
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-(3-oxoprop-1-en-2-yl)urea?
The IUPAC name of 1-(2-aminoethyl)-3-(3-oxoprop-1-en-2-yl)urea (CID 146222638) is 1-(2-aminoethyl)-3-(3-oxoprop-1-en-2-yl)urea.
What is the SMILES notation for 1-(2-aminoethyl)-3-(3-oxoprop-1-en-2-yl)urea?
The canonical SMILES for 1-(2-aminoethyl)-3-(3-oxoprop-1-en-2-yl)urea is C=C(C=O)NC(=O)NCCN.
What is the InChIKey of 1-(2-aminoethyl)-3-(3-oxoprop-1-en-2-yl)urea?
The InChIKey is HVFQXPKJCCIKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-5(4-10)9-6(11)8-3-2-7/h4H,1-3,7H2,(H2,8,9,11).
What are the key properties of 1-(2-aminoethyl)-3-(3-oxoprop-1-en-2-yl)urea?
1-(2-aminoethyl)-3-(3-oxoprop-1-en-2-yl)urea has a molecular weight of 157.17 g/mol, XLogP of -1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-(3-oxoprop-1-en-2-yl)urea is sourced from PubChem (CID 146222638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).