4-(methylideneamino)spiro[4.5]decan-8-one

C11H17NO — CID 69466288

IUPAC4-(methylideneamino)spiro[4.5]decan-8-one
SMILESC=NC1CCCC12CCC(=O)CC2
InChIInChI=1S/C11H17NO/c1-12-10-3-2-6-11(10)7-4-9(13)5-8-11/h10H,1-8H2
InChIKeyGETVQRDUNLSZHR-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.37
Rot. Bonds1

About 4-(methylideneamino)spiro[4.5]decan-8-one

4-(methylideneamino)spiro[4.5]decan-8-one (PubChem CID 69466288) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-(methylideneamino)spiro[4.5]decan-8-one.

Molecular Properties

Compound Name4-(methylideneamino)spiro[4.5]decan-8-one
PubChem CID69466288
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-(methylideneamino)spiro[4.5]decan-8-one
SMILESC=NC1CCCC12CCC(=O)CC2
InChIInChI=1S/C11H17NO/c1-12-10-3-2-6-11(10)7-4-9(13)5-8-11/h10H,1-8H2
InChIKeyGETVQRDUNLSZHR-UHFFFAOYSA-N
XLogP2.37
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methylideneamino)spiro[4.5]decan-8-one?
The IUPAC name of 4-(methylideneamino)spiro[4.5]decan-8-one (CID 69466288) is 4-(methylideneamino)spiro[4.5]decan-8-one.
What is the SMILES notation for 4-(methylideneamino)spiro[4.5]decan-8-one?
The canonical SMILES for 4-(methylideneamino)spiro[4.5]decan-8-one is C=NC1CCCC12CCC(=O)CC2.
What is the InChIKey of 4-(methylideneamino)spiro[4.5]decan-8-one?
The InChIKey is GETVQRDUNLSZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-12-10-3-2-6-11(10)7-4-9(13)5-8-11/h10H,1-8H2.
What are the key properties of 4-(methylideneamino)spiro[4.5]decan-8-one?
4-(methylideneamino)spiro[4.5]decan-8-one has a molecular weight of 179.26 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylideneamino)spiro[4.5]decan-8-one is sourced from PubChem (CID 69466288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).