(6R,8R,11R)-2,2,11-trimethyl-8-prop-1-en-2-yl-1-azaspiro[5.5]undecan-4-one

C16H27NO — CID 11747033

IUPAC(6R,8R,11R)-2,2,11-trimethyl-8-prop-1-en-2-yl-1-azaspiro[5.5]undecan-4-one
SMILESC=C(C)[C@@H]1CC[C@@H](C)[C@]2(CC(=O)CC(C)(C)N2)C1
InChIInChI=1S/C16H27NO/c1-11(2)13-7-6-12(3)16(8-13)10-14(18)9-15(4,5)17-16/h12-13,17H,1,6-10H2,2-5H3/t12-,13-,16-/m1/s1
InChIKeyDGDAPTQXHBMKMV-XJKCOSOUSA-N
MW249.40 g/mol
LogP3.47
Rot. Bonds1

About (6R,8R,11R)-2,2,11-trimethyl-8-prop-1-en-2-yl-1-azaspiro[5.5]undecan-4-one

(6R,8R,11R)-2,2,11-trimethyl-8-prop-1-en-2-yl-1-azaspiro[5.5]undecan-4-one (PubChem CID 11747033) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (6R,8R,11R)-2,2,11-trimethyl-8-prop-1-en-2-yl-1-azaspiro[5.5]undecan-4-one.

Molecular Properties

Compound Name(6R,8R,11R)-2,2,11-trimethyl-8-prop-1-en-2-yl-1-azaspiro[5.5]undecan-4-one
PubChem CID11747033
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(6R,8R,11R)-2,2,11-trimethyl-8-prop-1-en-2-yl-1-azaspiro[5.5]undecan-4-one
SMILESC=C(C)[C@@H]1CC[C@@H](C)[C@]2(CC(=O)CC(C)(C)N2)C1
InChIInChI=1S/C16H27NO/c1-11(2)13-7-6-12(3)16(8-13)10-14(18)9-15(4,5)17-16/h12-13,17H,1,6-10H2,2-5H3/t12-,13-,16-/m1/s1
InChIKeyDGDAPTQXHBMKMV-XJKCOSOUSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R,8R,11R)-2,2,11-trimethyl-8-prop-1-en-2-yl-1-azaspiro[5.5]undecan-4-one?
The IUPAC name of (6R,8R,11R)-2,2,11-trimethyl-8-prop-1-en-2-yl-1-azaspiro[5.5]undecan-4-one (CID 11747033) is (6R,8R,11R)-2,2,11-trimethyl-8-prop-1-en-2-yl-1-azaspiro[5.5]undecan-4-one.
What is the SMILES notation for (6R,8R,11R)-2,2,11-trimethyl-8-prop-1-en-2-yl-1-azaspiro[5.5]undecan-4-one?
The canonical SMILES for (6R,8R,11R)-2,2,11-trimethyl-8-prop-1-en-2-yl-1-azaspiro[5.5]undecan-4-one is C=C(C)[C@@H]1CC[C@@H](C)[C@]2(CC(=O)CC(C)(C)N2)C1.
What is the InChIKey of (6R,8R,11R)-2,2,11-trimethyl-8-prop-1-en-2-yl-1-azaspiro[5.5]undecan-4-one?
The InChIKey is DGDAPTQXHBMKMV-XJKCOSOUSA-N. The full InChI is InChI=1S/C16H27NO/c1-11(2)13-7-6-12(3)16(8-13)10-14(18)9-15(4,5)17-16/h12-13,17H,1,6-10H2,2-5H3/t12-,13-,16-/m1/s1.
What are the key properties of (6R,8R,11R)-2,2,11-trimethyl-8-prop-1-en-2-yl-1-azaspiro[5.5]undecan-4-one?
(6R,8R,11R)-2,2,11-trimethyl-8-prop-1-en-2-yl-1-azaspiro[5.5]undecan-4-one has a molecular weight of 249.40 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8R,11R)-2,2,11-trimethyl-8-prop-1-en-2-yl-1-azaspiro[5.5]undecan-4-one is sourced from PubChem (CID 11747033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).