(5S,9S)-7-(cyclopropanecarbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one

C12H18N2O2 — CID 155873632

IUPAC(5S,9S)-7-(cyclopropanecarbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESC[C@@H]1CN(C(=O)C2CC2)C[C@]12CCNC2=O
InChIInChI=1S/C12H18N2O2/c1-8-6-14(10(15)9-2-3-9)7-12(8)4-5-13-11(12)16/h8-9H,2-7H2,1H3,(H,13,16)/t8-,12-/m1/s1
InChIKeyALVGYOPCXSWPDN-PRHODGIISA-N
MW222.29 g/mol
LogP0.38
Rot. Bonds1

About (5S,9S)-7-(cyclopropanecarbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one

(5S,9S)-7-(cyclopropanecarbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 155873632) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (5S,9S)-7-(cyclopropanecarbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S,9S)-7-(cyclopropanecarbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID155873632
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(5S,9S)-7-(cyclopropanecarbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESC[C@@H]1CN(C(=O)C2CC2)C[C@]12CCNC2=O
InChIInChI=1S/C12H18N2O2/c1-8-6-14(10(15)9-2-3-9)7-12(8)4-5-13-11(12)16/h8-9H,2-7H2,1H3,(H,13,16)/t8-,12-/m1/s1
InChIKeyALVGYOPCXSWPDN-PRHODGIISA-N
XLogP0.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,9S)-7-(cyclopropanecarbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S,9S)-7-(cyclopropanecarbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one (CID 155873632) is (5S,9S)-7-(cyclopropanecarbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S,9S)-7-(cyclopropanecarbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S,9S)-7-(cyclopropanecarbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one is C[C@@H]1CN(C(=O)C2CC2)C[C@]12CCNC2=O.
What is the InChIKey of (5S,9S)-7-(cyclopropanecarbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is ALVGYOPCXSWPDN-PRHODGIISA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-6-14(10(15)9-2-3-9)7-12(8)4-5-13-11(12)16/h8-9H,2-7H2,1H3,(H,13,16)/t8-,12-/m1/s1.
What are the key properties of (5S,9S)-7-(cyclopropanecarbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one?
(5S,9S)-7-(cyclopropanecarbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 222.29 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-7-(cyclopropanecarbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 155873632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).