4-aminopent-4-en-2-ylurea

C6H13N3O — CID 89234840

IUPAC4-aminopent-4-en-2-ylurea
SMILESC=C(N)CC(C)NC(N)=O
InChIInChI=1S/C6H13N3O/c1-4(7)3-5(2)9-6(8)10/h5H,1,3,7H2,2H3,(H3,8,9,10)
InChIKeySDRIPGKQOXXBKO-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.09
Rot. Bonds3

About 4-aminopent-4-en-2-ylurea

4-aminopent-4-en-2-ylurea (PubChem CID 89234840) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-aminopent-4-en-2-ylurea.

Molecular Properties

Compound Name4-aminopent-4-en-2-ylurea
PubChem CID89234840
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name4-aminopent-4-en-2-ylurea
SMILESC=C(N)CC(C)NC(N)=O
InChIInChI=1S/C6H13N3O/c1-4(7)3-5(2)9-6(8)10/h5H,1,3,7H2,2H3,(H3,8,9,10)
InChIKeySDRIPGKQOXXBKO-UHFFFAOYSA-N
XLogP-0.09
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-aminopent-4-en-2-ylurea?
The IUPAC name of 4-aminopent-4-en-2-ylurea (CID 89234840) is 4-aminopent-4-en-2-ylurea.
What is the SMILES notation for 4-aminopent-4-en-2-ylurea?
The canonical SMILES for 4-aminopent-4-en-2-ylurea is C=C(N)CC(C)NC(N)=O.
What is the InChIKey of 4-aminopent-4-en-2-ylurea?
The InChIKey is SDRIPGKQOXXBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-4(7)3-5(2)9-6(8)10/h5H,1,3,7H2,2H3,(H3,8,9,10).
What are the key properties of 4-aminopent-4-en-2-ylurea?
4-aminopent-4-en-2-ylurea has a molecular weight of 143.19 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopent-4-en-2-ylurea is sourced from PubChem (CID 89234840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).