9-[(1S,2R)-2-methylcyclopropanecarbonyl]-1,9-diazaspiro[5.5]undecan-2-one

C14H22N2O2 — CID 97450527

IUPAC9-[(1S,2R)-2-methylcyclopropanecarbonyl]-1,9-diazaspiro[5.5]undecan-2-one
SMILESC[C@@H]1C[C@@H]1C(=O)N1CCC2(CCCC(=O)N2)CC1
InChIInChI=1S/C14H22N2O2/c1-10-9-11(10)13(18)16-7-5-14(6-8-16)4-2-3-12(17)15-14/h10-11H,2-9H2,1H3,(H,15,17)/t10-,11+/m1/s1
InChIKeyTVXVJOPQNYUFTK-MNOVXSKESA-N
MW250.34 g/mol
LogP1.30
Rot. Bonds1

About 9-[(1S,2R)-2-methylcyclopropanecarbonyl]-1,9-diazaspiro[5.5]undecan-2-one

9-[(1S,2R)-2-methylcyclopropanecarbonyl]-1,9-diazaspiro[5.5]undecan-2-one (PubChem CID 97450527) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 9-[(1S,2R)-2-methylcyclopropanecarbonyl]-1,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name9-[(1S,2R)-2-methylcyclopropanecarbonyl]-1,9-diazaspiro[5.5]undecan-2-one
PubChem CID97450527
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name9-[(1S,2R)-2-methylcyclopropanecarbonyl]-1,9-diazaspiro[5.5]undecan-2-one
SMILESC[C@@H]1C[C@@H]1C(=O)N1CCC2(CCCC(=O)N2)CC1
InChIInChI=1S/C14H22N2O2/c1-10-9-11(10)13(18)16-7-5-14(6-8-16)4-2-3-12(17)15-14/h10-11H,2-9H2,1H3,(H,15,17)/t10-,11+/m1/s1
InChIKeyTVXVJOPQNYUFTK-MNOVXSKESA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[(1S,2R)-2-methylcyclopropanecarbonyl]-1,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 9-[(1S,2R)-2-methylcyclopropanecarbonyl]-1,9-diazaspiro[5.5]undecan-2-one (CID 97450527) is 9-[(1S,2R)-2-methylcyclopropanecarbonyl]-1,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 9-[(1S,2R)-2-methylcyclopropanecarbonyl]-1,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 9-[(1S,2R)-2-methylcyclopropanecarbonyl]-1,9-diazaspiro[5.5]undecan-2-one is C[C@@H]1C[C@@H]1C(=O)N1CCC2(CCCC(=O)N2)CC1.
What is the InChIKey of 9-[(1S,2R)-2-methylcyclopropanecarbonyl]-1,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is TVXVJOPQNYUFTK-MNOVXSKESA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-9-11(10)13(18)16-7-5-14(6-8-16)4-2-3-12(17)15-14/h10-11H,2-9H2,1H3,(H,15,17)/t10-,11+/m1/s1.
What are the key properties of 9-[(1S,2R)-2-methylcyclopropanecarbonyl]-1,9-diazaspiro[5.5]undecan-2-one?
9-[(1S,2R)-2-methylcyclopropanecarbonyl]-1,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 250.34 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1S,2R)-2-methylcyclopropanecarbonyl]-1,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 97450527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).