(1S,5R)-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide

C14H19NO2 — CID 127039230

IUPAC(1S,5R)-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide
SMILESCC(C)C1=CC[C@H](C(N)=O)[C@@]12C=CC(=O)CC2
InChIInChI=1S/C14H19NO2/c1-9(2)11-3-4-12(13(15)17)14(11)7-5-10(16)6-8-14/h3,5,7,9,12H,4,6,8H2,1-2H3,(H2,15,17)/t12-,14-/m1/s1
InChIKeyIRAPKAQELNYCKM-TZMCWYRMSA-N
MW233.31 g/mol
LogP1.98
Rot. Bonds2

About (1S,5R)-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide

(1S,5R)-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide (PubChem CID 127039230) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (1S,5R)-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide.

Molecular Properties

Compound Name(1S,5R)-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide
PubChem CID127039230
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(1S,5R)-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide
SMILESCC(C)C1=CC[C@H](C(N)=O)[C@@]12C=CC(=O)CC2
InChIInChI=1S/C14H19NO2/c1-9(2)11-3-4-12(13(15)17)14(11)7-5-10(16)6-8-14/h3,5,7,9,12H,4,6,8H2,1-2H3,(H2,15,17)/t12-,14-/m1/s1
InChIKeyIRAPKAQELNYCKM-TZMCWYRMSA-N
XLogP1.98
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-(4-Oxocyclohex-2-en-1-yl)propanamide
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Isophorone diacrylamide
CID 21274876
4-[3-[2-[4-(4-Amino-4-oxobutyl)-4-methyl-3,5-dioxocyclopenten-1-yl]ethyl]-1-methyl-2,5-dioxocyclopent-3-en-1-yl]butanamide
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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide?
The IUPAC name of (1S,5R)-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide (CID 127039230) is (1S,5R)-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide.
What is the SMILES notation for (1S,5R)-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide?
The canonical SMILES for (1S,5R)-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide is CC(C)C1=CC[C@H](C(N)=O)[C@@]12C=CC(=O)CC2.
What is the InChIKey of (1S,5R)-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide?
The InChIKey is IRAPKAQELNYCKM-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(2)11-3-4-12(13(15)17)14(11)7-5-10(16)6-8-14/h3,5,7,9,12H,4,6,8H2,1-2H3,(H2,15,17)/t12-,14-/m1/s1.
What are the key properties of (1S,5R)-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide?
(1S,5R)-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide is sourced from PubChem (CID 127039230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).