(4S,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione

C12H17NO2 — CID 11745827

IUPAC(4S,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione
SMILESC=CCN1C[C@@H](C)[C@@]2(CCCC2=O)C1=O
InChIInChI=1S/C12H17NO2/c1-3-7-13-8-9(2)12(11(13)15)6-4-5-10(12)14/h3,9H,1,4-8H2,2H3/t9-,12-/m1/s1
InChIKeyUATSEHMJDMNRTD-BXKDBHETSA-N
MW207.27 g/mol
LogP1.39
Rot. Bonds2

About (4S,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione

(4S,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione (PubChem CID 11745827) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (4S,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione.

Molecular Properties

Compound Name(4S,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione
PubChem CID11745827
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(4S,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione
SMILESC=CCN1C[C@@H](C)[C@@]2(CCCC2=O)C1=O
InChIInChI=1S/C12H17NO2/c1-3-7-13-8-9(2)12(11(13)15)6-4-5-10(12)14/h3,9H,1,4-8H2,2H3/t9-,12-/m1/s1
InChIKeyUATSEHMJDMNRTD-BXKDBHETSA-N
XLogP1.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione?
The IUPAC name of (4S,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione (CID 11745827) is (4S,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione.
What is the SMILES notation for (4S,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione?
The canonical SMILES for (4S,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione is C=CCN1C[C@@H](C)[C@@]2(CCCC2=O)C1=O.
What is the InChIKey of (4S,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione?
The InChIKey is UATSEHMJDMNRTD-BXKDBHETSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-7-13-8-9(2)12(11(13)15)6-4-5-10(12)14/h3,9H,1,4-8H2,2H3/t9-,12-/m1/s1.
What are the key properties of (4S,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione?
(4S,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione has a molecular weight of 207.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione is sourced from PubChem (CID 11745827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).