(9R)-9-(cyclopropylamino)-7-(methylideneamino)-2,7-diazaspiro[4.5]decan-3-one

C12H20N4O — CID 171091869

IUPAC(9R)-9-(cyclopropylamino)-7-(methylideneamino)-2,7-diazaspiro[4.5]decan-3-one
SMILESC=NN1C[C@H](NC2CC2)CC2(CNC(=O)C2)C1
InChIInChI=1S/C12H20N4O/c1-13-16-6-10(15-9-2-3-9)4-12(8-16)5-11(17)14-7-12/h9-10,15H,1-8H2,(H,14,17)/t10-,12?/m1/s1
InChIKeyZNCRWLIYBQQYDQ-RWANSRKNSA-N
MW236.32 g/mol
LogP-0.07
Rot. Bonds3

About (9R)-9-(cyclopropylamino)-7-(methylideneamino)-2,7-diazaspiro[4.5]decan-3-one

(9R)-9-(cyclopropylamino)-7-(methylideneamino)-2,7-diazaspiro[4.5]decan-3-one (PubChem CID 171091869) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (9R)-9-(cyclopropylamino)-7-(methylideneamino)-2,7-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(9R)-9-(cyclopropylamino)-7-(methylideneamino)-2,7-diazaspiro[4.5]decan-3-one
PubChem CID171091869
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(9R)-9-(cyclopropylamino)-7-(methylideneamino)-2,7-diazaspiro[4.5]decan-3-one
SMILESC=NN1C[C@H](NC2CC2)CC2(CNC(=O)C2)C1
InChIInChI=1S/C12H20N4O/c1-13-16-6-10(15-9-2-3-9)4-12(8-16)5-11(17)14-7-12/h9-10,15H,1-8H2,(H,14,17)/t10-,12?/m1/s1
InChIKeyZNCRWLIYBQQYDQ-RWANSRKNSA-N
XLogP-0.07
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (9R)-9-(cyclopropylamino)-7-(methylideneamino)-2,7-diazaspiro[4.5]decan-3-one?
The IUPAC name of (9R)-9-(cyclopropylamino)-7-(methylideneamino)-2,7-diazaspiro[4.5]decan-3-one (CID 171091869) is (9R)-9-(cyclopropylamino)-7-(methylideneamino)-2,7-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for (9R)-9-(cyclopropylamino)-7-(methylideneamino)-2,7-diazaspiro[4.5]decan-3-one?
The canonical SMILES for (9R)-9-(cyclopropylamino)-7-(methylideneamino)-2,7-diazaspiro[4.5]decan-3-one is C=NN1C[C@H](NC2CC2)CC2(CNC(=O)C2)C1.
What is the InChIKey of (9R)-9-(cyclopropylamino)-7-(methylideneamino)-2,7-diazaspiro[4.5]decan-3-one?
The InChIKey is ZNCRWLIYBQQYDQ-RWANSRKNSA-N. The full InChI is InChI=1S/C12H20N4O/c1-13-16-6-10(15-9-2-3-9)4-12(8-16)5-11(17)14-7-12/h9-10,15H,1-8H2,(H,14,17)/t10-,12?/m1/s1.
What are the key properties of (9R)-9-(cyclopropylamino)-7-(methylideneamino)-2,7-diazaspiro[4.5]decan-3-one?
(9R)-9-(cyclopropylamino)-7-(methylideneamino)-2,7-diazaspiro[4.5]decan-3-one has a molecular weight of 236.32 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-(cyclopropylamino)-7-(methylideneamino)-2,7-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 171091869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).