(3S,5S)-9-(cyclopropylmethyl)-3-prop-2-enoxy-1-oxa-9-azaspiro[4.5]decane

C15H25NO2 — CID 97371589

IUPAC(3S,5S)-9-(cyclopropylmethyl)-3-prop-2-enoxy-1-oxa-9-azaspiro[4.5]decane
SMILESC=CCO[C@@H]1CO[C@@]2(CCCN(CC3CC3)C2)C1
InChIInChI=1S/C15H25NO2/c1-2-8-17-14-9-15(18-11-14)6-3-7-16(12-15)10-13-4-5-13/h2,13-14H,1,3-12H2/t14-,15-/m0/s1
InChIKeySWZUIJKGMWHZFO-GJZGRUSLSA-N
MW251.37 g/mol
LogP2.22
Rot. Bonds5

About (3S,5S)-9-(cyclopropylmethyl)-3-prop-2-enoxy-1-oxa-9-azaspiro[4.5]decane

(3S,5S)-9-(cyclopropylmethyl)-3-prop-2-enoxy-1-oxa-9-azaspiro[4.5]decane (PubChem CID 97371589) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (3S,5S)-9-(cyclopropylmethyl)-3-prop-2-enoxy-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S,5S)-9-(cyclopropylmethyl)-3-prop-2-enoxy-1-oxa-9-azaspiro[4.5]decane
PubChem CID97371589
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(3S,5S)-9-(cyclopropylmethyl)-3-prop-2-enoxy-1-oxa-9-azaspiro[4.5]decane
SMILESC=CCO[C@@H]1CO[C@@]2(CCCN(CC3CC3)C2)C1
InChIInChI=1S/C15H25NO2/c1-2-8-17-14-9-15(18-11-14)6-3-7-16(12-15)10-13-4-5-13/h2,13-14H,1,3-12H2/t14-,15-/m0/s1
InChIKeySWZUIJKGMWHZFO-GJZGRUSLSA-N
XLogP2.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,5R)-9-(oxan-4-ylmethyl)-3-prop-2-enoxy-1-oxa-9-azaspiro[4.5]decane
CID 97371590
(3R,5S)-3-prop-2-enoxy-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 97371548
(3R,5R)-9-[(5-methylthiophen-2-yl)methyl]-3-prop-2-enoxy-1-oxa-9-azaspiro[4.5]decane
CID 98813564
(3S,5R)-9-[(5-methylfuran-2-yl)methyl]-3-prop-2-enoxy-1-oxa-9-azaspiro[4.5]decane
CID 97371565
(3S,5R)-9-(cyclopropylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 97371627
9-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 134071300
(3R,5S)-3-(cyclopropylmethoxy)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
CID 97485654
[(3S,5S)-3-prop-2-enoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
CID 97489662
(3S,5S)-3-(cyclopropylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
CID 124521959
(3R,5R)-9-(cyclopropylmethyl)-N-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371732
[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
CID 97419485
(3S,5R)-9-cyclobutyl-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-9-azaspiro[4.5]decane
CID 124911945

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-9-(cyclopropylmethyl)-3-prop-2-enoxy-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (3S,5S)-9-(cyclopropylmethyl)-3-prop-2-enoxy-1-oxa-9-azaspiro[4.5]decane (CID 97371589) is (3S,5S)-9-(cyclopropylmethyl)-3-prop-2-enoxy-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (3S,5S)-9-(cyclopropylmethyl)-3-prop-2-enoxy-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (3S,5S)-9-(cyclopropylmethyl)-3-prop-2-enoxy-1-oxa-9-azaspiro[4.5]decane is C=CCO[C@@H]1CO[C@@]2(CCCN(CC3CC3)C2)C1.
What is the InChIKey of (3S,5S)-9-(cyclopropylmethyl)-3-prop-2-enoxy-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is SWZUIJKGMWHZFO-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-8-17-14-9-15(18-11-14)6-3-7-16(12-15)10-13-4-5-13/h2,13-14H,1,3-12H2/t14-,15-/m0/s1.
What are the key properties of (3S,5S)-9-(cyclopropylmethyl)-3-prop-2-enoxy-1-oxa-9-azaspiro[4.5]decane?
(3S,5S)-9-(cyclopropylmethyl)-3-prop-2-enoxy-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 251.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-9-(cyclopropylmethyl)-3-prop-2-enoxy-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 97371589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).