1-(4-cyclopentylbut-3-yn-2-yl)-1-hydroxyurea

C10H16N2O2 — CID 19422106

IUPAC1-(4-cyclopentylbut-3-yn-2-yl)-1-hydroxyurea
SMILESCC(C#CC1CCCC1)N(O)C(N)=O
InChIInChI=1S/C10H16N2O2/c1-8(12(14)10(11)13)6-7-9-4-2-3-5-9/h8-9,14H,2-5H2,1H3,(H2,11,13)
InChIKeyFZRIJZBPBXBZHD-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.34
Rot. Bonds1

About 1-(4-cyclopentylbut-3-yn-2-yl)-1-hydroxyurea

1-(4-cyclopentylbut-3-yn-2-yl)-1-hydroxyurea (PubChem CID 19422106) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(4-cyclopentylbut-3-yn-2-yl)-1-hydroxyurea.

Molecular Properties

Compound Name1-(4-cyclopentylbut-3-yn-2-yl)-1-hydroxyurea
PubChem CID19422106
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(4-cyclopentylbut-3-yn-2-yl)-1-hydroxyurea
SMILESCC(C#CC1CCCC1)N(O)C(N)=O
InChIInChI=1S/C10H16N2O2/c1-8(12(14)10(11)13)6-7-9-4-2-3-5-9/h8-9,14H,2-5H2,1H3,(H2,11,13)
InChIKeyFZRIJZBPBXBZHD-UHFFFAOYSA-N
XLogP1.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylbut-3-yn-2-yl)-1-hydroxyurea?
The IUPAC name of 1-(4-cyclopentylbut-3-yn-2-yl)-1-hydroxyurea (CID 19422106) is 1-(4-cyclopentylbut-3-yn-2-yl)-1-hydroxyurea.
What is the SMILES notation for 1-(4-cyclopentylbut-3-yn-2-yl)-1-hydroxyurea?
The canonical SMILES for 1-(4-cyclopentylbut-3-yn-2-yl)-1-hydroxyurea is CC(C#CC1CCCC1)N(O)C(N)=O.
What is the InChIKey of 1-(4-cyclopentylbut-3-yn-2-yl)-1-hydroxyurea?
The InChIKey is FZRIJZBPBXBZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8(12(14)10(11)13)6-7-9-4-2-3-5-9/h8-9,14H,2-5H2,1H3,(H2,11,13).
What are the key properties of 1-(4-cyclopentylbut-3-yn-2-yl)-1-hydroxyurea?
1-(4-cyclopentylbut-3-yn-2-yl)-1-hydroxyurea has a molecular weight of 196.25 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylbut-3-yn-2-yl)-1-hydroxyurea is sourced from PubChem (CID 19422106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).