(6S,10S,11R)-10-methyl-1-(4-methylpent-3-enyl)-11-prop-1-ynyl-2-azaspiro[5.5]undec-1-en-9-one

C20H29NO — CID 11652341

IUPAC(6S,10S,11R)-10-methyl-1-(4-methylpent-3-enyl)-11-prop-1-ynyl-2-azaspiro[5.5]undec-1-en-9-one
SMILESCC#C[C@H]1[C@H](C)C(=O)CC[C@@]12CCCN=C2CCC=C(C)C
InChIInChI=1S/C20H29NO/c1-5-8-17-16(4)18(22)11-13-20(17)12-7-14-21-19(20)10-6-9-15(2)3/h9,16-17H,6-7,10-14H2,1-4H3/t16-,17-,20-/m0/s1
InChIKeyUCZWTSUOUMWXHQ-ZWOKBUDYSA-N
MW299.46 g/mol
LogP4.59
Rot. Bonds3

About (6S,10S,11R)-10-methyl-1-(4-methylpent-3-enyl)-11-prop-1-ynyl-2-azaspiro[5.5]undec-1-en-9-one

(6S,10S,11R)-10-methyl-1-(4-methylpent-3-enyl)-11-prop-1-ynyl-2-azaspiro[5.5]undec-1-en-9-one (PubChem CID 11652341) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is (6S,10S,11R)-10-methyl-1-(4-methylpent-3-enyl)-11-prop-1-ynyl-2-azaspiro[5.5]undec-1-en-9-one.

Molecular Properties

Compound Name(6S,10S,11R)-10-methyl-1-(4-methylpent-3-enyl)-11-prop-1-ynyl-2-azaspiro[5.5]undec-1-en-9-one
PubChem CID11652341
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name(6S,10S,11R)-10-methyl-1-(4-methylpent-3-enyl)-11-prop-1-ynyl-2-azaspiro[5.5]undec-1-en-9-one
SMILESCC#C[C@H]1[C@H](C)C(=O)CC[C@@]12CCCN=C2CCC=C(C)C
InChIInChI=1S/C20H29NO/c1-5-8-17-16(4)18(22)11-13-20(17)12-7-14-21-19(20)10-6-9-15(2)3/h9,16-17H,6-7,10-14H2,1-4H3/t16-,17-,20-/m0/s1
InChIKeyUCZWTSUOUMWXHQ-ZWOKBUDYSA-N
XLogP4.59
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6S,10S,11R)-10-methyl-1-(4-methylpent-3-enyl)-11-prop-1-ynyl-2-azaspiro[5.5]undec-1-en-9-one?
The IUPAC name of (6S,10S,11R)-10-methyl-1-(4-methylpent-3-enyl)-11-prop-1-ynyl-2-azaspiro[5.5]undec-1-en-9-one (CID 11652341) is (6S,10S,11R)-10-methyl-1-(4-methylpent-3-enyl)-11-prop-1-ynyl-2-azaspiro[5.5]undec-1-en-9-one.
What is the SMILES notation for (6S,10S,11R)-10-methyl-1-(4-methylpent-3-enyl)-11-prop-1-ynyl-2-azaspiro[5.5]undec-1-en-9-one?
The canonical SMILES for (6S,10S,11R)-10-methyl-1-(4-methylpent-3-enyl)-11-prop-1-ynyl-2-azaspiro[5.5]undec-1-en-9-one is CC#C[C@H]1[C@H](C)C(=O)CC[C@@]12CCCN=C2CCC=C(C)C.
What is the InChIKey of (6S,10S,11R)-10-methyl-1-(4-methylpent-3-enyl)-11-prop-1-ynyl-2-azaspiro[5.5]undec-1-en-9-one?
The InChIKey is UCZWTSUOUMWXHQ-ZWOKBUDYSA-N. The full InChI is InChI=1S/C20H29NO/c1-5-8-17-16(4)18(22)11-13-20(17)12-7-14-21-19(20)10-6-9-15(2)3/h9,16-17H,6-7,10-14H2,1-4H3/t16-,17-,20-/m0/s1.
What are the key properties of (6S,10S,11R)-10-methyl-1-(4-methylpent-3-enyl)-11-prop-1-ynyl-2-azaspiro[5.5]undec-1-en-9-one?
(6S,10S,11R)-10-methyl-1-(4-methylpent-3-enyl)-11-prop-1-ynyl-2-azaspiro[5.5]undec-1-en-9-one has a molecular weight of 299.46 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,10S,11R)-10-methyl-1-(4-methylpent-3-enyl)-11-prop-1-ynyl-2-azaspiro[5.5]undec-1-en-9-one is sourced from PubChem (CID 11652341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).