(5S)-2-[(E)-3-(furan-2-yl)prop-2-enyl]-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane

C23H30N2O — CID 42404410

IUPAC(5S)-2-[(E)-3-(furan-2-yl)prop-2-enyl]-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane
SMILESC(=C/c1ccco1)\CN1CC[C@]2(CCCN(CCc3ccccc3)C2)C1
InChIInChI=1S/C23H30N2O/c1-2-7-21(8-3-1)11-16-24-15-6-12-23(19-24)13-17-25(20-23)14-4-9-22-10-5-18-26-22/h1-5,7-10,18H,6,11-17,19-20H2/b9-4+/t23-/m0/s1
InChIKeyXNQWMFCESZJKLD-YNYHDPJCSA-N
MW350.51 g/mol
LogP4.32
Rot. Bonds6

About (5S)-2-[(E)-3-(furan-2-yl)prop-2-enyl]-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane

(5S)-2-[(E)-3-(furan-2-yl)prop-2-enyl]-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane (PubChem CID 42404410) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is (5S)-2-[(E)-3-(furan-2-yl)prop-2-enyl]-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-2-[(E)-3-(furan-2-yl)prop-2-enyl]-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane
PubChem CID42404410
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name(5S)-2-[(E)-3-(furan-2-yl)prop-2-enyl]-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane
SMILESC(=C/c1ccco1)\CN1CC[C@]2(CCCN(CCc3ccccc3)C2)C1
InChIInChI=1S/C23H30N2O/c1-2-7-21(8-3-1)11-16-24-15-6-12-23(19-24)13-17-25(20-23)14-4-9-22-10-5-18-26-22/h1-5,7-10,18H,6,11-17,19-20H2/b9-4+/t23-/m0/s1
InChIKeyXNQWMFCESZJKLD-YNYHDPJCSA-N
XLogP4.32
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-phenylethyl)-5-azaspiro[2.4]heptane
CID 142337171
3-phenyl-5-[[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole
CID 28739652
(6R)-8-(furan-2-ylmethyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96580176
2-[(E)-4-phenylbut-1-enyl]furan
CID 169432346
(E)-1-[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-pyridin-2-ylprop-2-en-1-one
CID 25278228
(5R)-2-(2-methylsulfanylpyrimidin-4-yl)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane
CID 95726693
2-[(E)-3-phenylprop-2-enyl]-2-azaspiro[3.3]heptane
CID 130375967
1-[4-[[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]thiophen-2-yl]ethanone
CID 45248581
3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 117011828
9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 45227788
[1-[(E)-3-(furan-2-yl)prop-2-enyl]-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol
CID 42341709
4-methyl-6-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]pyrimidin-2-amine
CID 56895668

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[(E)-3-(furan-2-yl)prop-2-enyl]-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5S)-2-[(E)-3-(furan-2-yl)prop-2-enyl]-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane (CID 42404410) is (5S)-2-[(E)-3-(furan-2-yl)prop-2-enyl]-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-2-[(E)-3-(furan-2-yl)prop-2-enyl]-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-2-[(E)-3-(furan-2-yl)prop-2-enyl]-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane is C(=C/c1ccco1)\CN1CC[C@]2(CCCN(CCc3ccccc3)C2)C1.
What is the InChIKey of (5S)-2-[(E)-3-(furan-2-yl)prop-2-enyl]-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane?
The InChIKey is XNQWMFCESZJKLD-YNYHDPJCSA-N. The full InChI is InChI=1S/C23H30N2O/c1-2-7-21(8-3-1)11-16-24-15-6-12-23(19-24)13-17-25(20-23)14-4-9-22-10-5-18-26-22/h1-5,7-10,18H,6,11-17,19-20H2/b9-4+/t23-/m0/s1.
What are the key properties of (5S)-2-[(E)-3-(furan-2-yl)prop-2-enyl]-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane?
(5S)-2-[(E)-3-(furan-2-yl)prop-2-enyl]-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane has a molecular weight of 350.51 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[(E)-3-(furan-2-yl)prop-2-enyl]-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 42404410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).