(3S)-3-(cyclopropylmethoxy)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

C17H25NO3 — CID 97477123

IUPAC(3S)-3-(cyclopropylmethoxy)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESc1cc(CN2CCC3(CC2)C[C@H](OCC2CC2)CO3)co1
InChIInChI=1S/C17H25NO3/c1-2-14(1)12-20-16-9-17(21-13-16)4-6-18(7-5-17)10-15-3-8-19-11-15/h3,8,11,14,16H,1-2,4-7,9-10,12-13H2/t16-/m0/s1
InChIKeyRYEKQACXHRIAGI-INIZCTEOSA-N
MW291.39 g/mol
LogP2.83
Rot. Bonds5

About (3S)-3-(cyclopropylmethoxy)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

(3S)-3-(cyclopropylmethoxy)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97477123) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (3S)-3-(cyclopropylmethoxy)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3-(cyclopropylmethoxy)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID97477123
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(3S)-3-(cyclopropylmethoxy)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESc1cc(CN2CCC3(CC2)C[C@H](OCC2CC2)CO3)co1
InChIInChI=1S/C17H25NO3/c1-2-14(1)12-20-16-9-17(21-13-16)4-6-18(7-5-17)10-15-3-8-19-11-15/h3,8,11,14,16H,1-2,4-7,9-10,12-13H2/t16-/m0/s1
InChIKeyRYEKQACXHRIAGI-INIZCTEOSA-N
XLogP2.83
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(cyclobutylmethoxy)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97419173
(3S,5S)-9-(furan-3-ylmethyl)-3-(oxan-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane
CID 97475120
(3S)-3-(cyclopropylmethoxy)-8-[(3-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97418851
(3S)-3-(cyclobutylmethoxy)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97419175
3-(cyclopropylmethoxy)-8-[(5-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 131645179
(8R)-2-(furan-3-ylmethyl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124805158
3-(cyclopropylmethoxy)-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 131639428
(3R,5S)-7-[(4-methylphenyl)methyl]-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97419962
(3S,5S)-7-(furan-3-ylmethyl)-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97477552
(3R)-8-(furan-3-ylmethyl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371272
(3R)-8-[(2-methylphenyl)methyl]-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97418922
(3R,5S)-3-(cyclopropylmethoxy)-7-[(3-methylthiophen-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 97419940

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(cyclopropylmethoxy)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3S)-3-(cyclopropylmethoxy)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (CID 97477123) is (3S)-3-(cyclopropylmethoxy)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-3-(cyclopropylmethoxy)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3S)-3-(cyclopropylmethoxy)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is c1cc(CN2CCC3(CC2)C[C@H](OCC2CC2)CO3)co1.
What is the InChIKey of (3S)-3-(cyclopropylmethoxy)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is RYEKQACXHRIAGI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-14(1)12-20-16-9-17(21-13-16)4-6-18(7-5-17)10-15-3-8-19-11-15/h3,8,11,14,16H,1-2,4-7,9-10,12-13H2/t16-/m0/s1.
What are the key properties of (3S)-3-(cyclopropylmethoxy)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
(3S)-3-(cyclopropylmethoxy)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 291.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(cyclopropylmethoxy)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97477123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).