(4R,5S,7R)-4-[(2S)-but-3-en-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decane

C16H27N — CID 139262780

IUPAC(4R,5S,7R)-4-[(2S)-but-3-en-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decane
SMILESC=CC[C@H]1CCC[C@]2(CCC[C@@H]2[C@@H](C)C=C)N1
InChIInChI=1S/C16H27N/c1-4-8-14-9-6-11-16(17-14)12-7-10-15(16)13(3)5-2/h4-5,13-15,17H,1-2,6-12H2,3H3/t13-,14-,15+,16+/m0/s1
InChIKeyXWOTXAPWMKWATA-CAOSSQGBSA-N
MW233.40 g/mol
LogP4.07
Rot. Bonds4

About (4R,5S,7R)-4-[(2S)-but-3-en-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decane

(4R,5S,7R)-4-[(2S)-but-3-en-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decane (PubChem CID 139262780) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is (4R,5S,7R)-4-[(2S)-but-3-en-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4R,5S,7R)-4-[(2S)-but-3-en-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decane
PubChem CID139262780
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name(4R,5S,7R)-4-[(2S)-but-3-en-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decane
SMILESC=CC[C@H]1CCC[C@]2(CCC[C@@H]2[C@@H](C)C=C)N1
InChIInChI=1S/C16H27N/c1-4-8-14-9-6-11-16(17-14)12-7-10-15(16)13(3)5-2/h4-5,13-15,17H,1-2,6-12H2,3H3/t13-,14-,15+,16+/m0/s1
InChIKeyXWOTXAPWMKWATA-CAOSSQGBSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (4R,5S,7R)-4-[(2S)-but-3-en-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decane?
The IUPAC name of (4R,5S,7R)-4-[(2S)-but-3-en-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decane (CID 139262780) is (4R,5S,7R)-4-[(2S)-but-3-en-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decane.
What is the SMILES notation for (4R,5S,7R)-4-[(2S)-but-3-en-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decane?
The canonical SMILES for (4R,5S,7R)-4-[(2S)-but-3-en-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decane is C=CC[C@H]1CCC[C@]2(CCC[C@@H]2[C@@H](C)C=C)N1.
What is the InChIKey of (4R,5S,7R)-4-[(2S)-but-3-en-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decane?
The InChIKey is XWOTXAPWMKWATA-CAOSSQGBSA-N. The full InChI is InChI=1S/C16H27N/c1-4-8-14-9-6-11-16(17-14)12-7-10-15(16)13(3)5-2/h4-5,13-15,17H,1-2,6-12H2,3H3/t13-,14-,15+,16+/m0/s1.
What are the key properties of (4R,5S,7R)-4-[(2S)-but-3-en-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decane?
(4R,5S,7R)-4-[(2S)-but-3-en-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decane has a molecular weight of 233.40 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,7R)-4-[(2S)-but-3-en-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decane is sourced from PubChem (CID 139262780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).