1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-butyl-1-cyclopropylurea

C11H22N4O2 — CID 54997788

IUPAC1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-butyl-1-cyclopropylurea
SMILESCCCCNC(=O)N(CC/C(N)=N/O)C1CC1
InChIInChI=1S/C11H22N4O2/c1-2-3-7-13-11(16)15(9-4-5-9)8-6-10(12)14-17/h9,17H,2-8H2,1H3,(H2,12,14)(H,13,16)
InChIKeyUHLOFXQBZOBBHD-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.10
Rot. Bonds7

About 1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-butyl-1-cyclopropylurea

1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-butyl-1-cyclopropylurea (PubChem CID 54997788) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-butyl-1-cyclopropylurea.

Molecular Properties

Compound Name1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-butyl-1-cyclopropylurea
PubChem CID54997788
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-butyl-1-cyclopropylurea
SMILESCCCCNC(=O)N(CC/C(N)=N/O)C1CC1
InChIInChI=1S/C11H22N4O2/c1-2-3-7-13-11(16)15(9-4-5-9)8-6-10(12)14-17/h9,17H,2-8H2,1H3,(H2,12,14)(H,13,16)
InChIKeyUHLOFXQBZOBBHD-UHFFFAOYSA-N
XLogP1.10
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-butyl-1-cyclopropylurea?
The IUPAC name of 1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-butyl-1-cyclopropylurea (CID 54997788) is 1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-butyl-1-cyclopropylurea.
What is the SMILES notation for 1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-butyl-1-cyclopropylurea?
The canonical SMILES for 1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-butyl-1-cyclopropylurea is CCCCNC(=O)N(CC/C(N)=N/O)C1CC1.
What is the InChIKey of 1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-butyl-1-cyclopropylurea?
The InChIKey is UHLOFXQBZOBBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-2-3-7-13-11(16)15(9-4-5-9)8-6-10(12)14-17/h9,17H,2-8H2,1H3,(H2,12,14)(H,13,16).
What are the key properties of 1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-butyl-1-cyclopropylurea?
1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-butyl-1-cyclopropylurea has a molecular weight of 242.32 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-butyl-1-cyclopropylurea is sourced from PubChem (CID 54997788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).