N-[(E)-(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide

C18H26N2O3 — CID 136576671

IUPACN-[(E)-(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide
SMILESO=C1CC2(CCCCC2)CC(O)=C1/C=N/NC(=O)C1CCCC1
InChIInChI=1S/C18H26N2O3/c21-15-10-18(8-4-1-5-9-18)11-16(22)14(15)12-19-20-17(23)13-6-2-3-7-13/h12-13,21H,1-11H2,(H,20,23)/b19-12+
InChIKeyXGJWVKZCBOUDHI-XDHOZWIPSA-N
MW318.42 g/mol
LogP3.40
Rot. Bonds3

About N-[(E)-(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide

N-[(E)-(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide (PubChem CID 136576671) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide
PubChem CID136576671
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(E)-(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide
SMILESO=C1CC2(CCCCC2)CC(O)=C1/C=N/NC(=O)C1CCCC1
InChIInChI=1S/C18H26N2O3/c21-15-10-18(8-4-1-5-9-18)11-16(22)14(15)12-19-20-17(23)13-6-2-3-7-13/h12-13,21H,1-11H2,(H,20,23)/b19-12+
InChIKeyXGJWVKZCBOUDHI-XDHOZWIPSA-N
XLogP3.40
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_enamin(30)', 'substructure': 'N/A'}, {'alert_name': 'imine_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 N-[(E)-(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide (CID 136576671) is N-[(E)-(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide is O=C1CC2(CCCCC2)CC(O)=C1/C=N/NC(=O)C1CCCC1.
What is the InChIKey of N-[(E)-(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide?
The InChIKey is XGJWVKZCBOUDHI-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-15-10-18(8-4-1-5-9-18)11-16(22)14(15)12-19-20-17(23)13-6-2-3-7-13/h12-13,21H,1-11H2,(H,20,23)/b19-12+.
What are the key properties of N-[(E)-(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide?
N-[(E)-(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide is sourced from PubChem (CID 136576671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).