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

C18H26N2O3 — CID 136741758

IUPACN-[(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide
SMILESO=C1CC2(CCCCC2)CC(O)=C1C=NNC(=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)
InChIKeyXGJWVKZCBOUDHI-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.40
Rot. Bonds3

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

N-[(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide (PubChem CID 136741758) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide
PubChem CID136741758
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide
SMILESO=C1CC2(CCCCC2)CC(O)=C1C=NNC(=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)
InChIKeyXGJWVKZCBOUDHI-UHFFFAOYSA-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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Related Compounds

N-[(E)-(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide
CID 136576671
2-hydroxy-3-[3-(oxolan-2-ylmethoxy)propyliminomethyl]spiro[5.5]undec-2-en-4-one
CID 167763431
N-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611
N-[(5-methylthiophen-2-yl)methylideneamino]cyclohexanecarboxamide
CID 922314
N-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 966794
N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide
CID 5427449
N-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 922325
N-(spiro[2.3]hexan-5-ylideneamino)cyclopropanecarboxamide
CID 131141008
N-[(Z)-furan-3-ylmethylideneamino]cyclohexanecarboxamide
CID 6231530
N-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 6079987
N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]cyclohexanecarboxamide
CID 135615209
N-[(Z)-(3,4-difluorophenyl)methylideneamino]cyclohexanecarboxamide
CID 9465740

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide?
The IUPAC name of N-[(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide (CID 136741758) is N-[(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide?
The canonical SMILES for N-[(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide is O=C1CC2(CCCCC2)CC(O)=C1C=NNC(=O)C1CCCC1.
What is the InChIKey of N-[(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide?
The InChIKey is XGJWVKZCBOUDHI-UHFFFAOYSA-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).
What are the key properties of N-[(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide?
N-[(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-[(2-hydroxy-4-oxospiro[5.5]undec-2-en-3-yl)methylideneamino]cyclopentanecarboxamide is sourced from PubChem (CID 136741758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).