(3E)-2-amino-3-[(2Z)-penta-2,4-dienylidene]cyclopentan-1-ol

C10H15NO — CID 88906958

IUPAC(3E)-2-amino-3-[(2Z)-penta-2,4-dienylidene]cyclopentan-1-ol
SMILESC=C/C=C\C=C1/CCC(O)C1N
InChIInChI=1S/C10H15NO/c1-2-3-4-5-8-6-7-9(12)10(8)11/h2-5,9-10,12H,1,6-7,11H2/b4-3-,8-5+
InChIKeyXPZQBURJMNKJIY-HMRFFJRGSA-N
MW165.24 g/mol
LogP1.14
Rot. Bonds2

About (3E)-2-amino-3-[(2Z)-penta-2,4-dienylidene]cyclopentan-1-ol

(3E)-2-amino-3-[(2Z)-penta-2,4-dienylidene]cyclopentan-1-ol (PubChem CID 88906958) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (3E)-2-amino-3-[(2Z)-penta-2,4-dienylidene]cyclopentan-1-ol.

Molecular Properties

Compound Name(3E)-2-amino-3-[(2Z)-penta-2,4-dienylidene]cyclopentan-1-ol
PubChem CID88906958
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(3E)-2-amino-3-[(2Z)-penta-2,4-dienylidene]cyclopentan-1-ol
SMILESC=C/C=C\C=C1/CCC(O)C1N
InChIInChI=1S/C10H15NO/c1-2-3-4-5-8-6-7-9(12)10(8)11/h2-5,9-10,12H,1,6-7,11H2/b4-3-,8-5+
InChIKeyXPZQBURJMNKJIY-HMRFFJRGSA-N
XLogP1.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-amino-3-[(2Z)-penta-2,4-dienylidene]cyclopentan-1-ol?
The IUPAC name of (3E)-2-amino-3-[(2Z)-penta-2,4-dienylidene]cyclopentan-1-ol (CID 88906958) is (3E)-2-amino-3-[(2Z)-penta-2,4-dienylidene]cyclopentan-1-ol.
What is the SMILES notation for (3E)-2-amino-3-[(2Z)-penta-2,4-dienylidene]cyclopentan-1-ol?
The canonical SMILES for (3E)-2-amino-3-[(2Z)-penta-2,4-dienylidene]cyclopentan-1-ol is C=C/C=C\C=C1/CCC(O)C1N.
What is the InChIKey of (3E)-2-amino-3-[(2Z)-penta-2,4-dienylidene]cyclopentan-1-ol?
The InChIKey is XPZQBURJMNKJIY-HMRFFJRGSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-3-4-5-8-6-7-9(12)10(8)11/h2-5,9-10,12H,1,6-7,11H2/b4-3-,8-5+.
What are the key properties of (3E)-2-amino-3-[(2Z)-penta-2,4-dienylidene]cyclopentan-1-ol?
(3E)-2-amino-3-[(2Z)-penta-2,4-dienylidene]cyclopentan-1-ol has a molecular weight of 165.24 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-amino-3-[(2Z)-penta-2,4-dienylidene]cyclopentan-1-ol is sourced from PubChem (CID 88906958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).