2-(furan-2-ylmethyl)-9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one

C19H26N2O4 — CID 97120010

IUPAC2-(furan-2-ylmethyl)-9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(C(=O)[C@H]3CCOC3)CC2)CN1Cc1ccco1
InChIInChI=1S/C19H26N2O4/c22-17-3-5-19(14-21(17)12-16-2-1-10-25-16)6-8-20(9-7-19)18(23)15-4-11-24-13-15/h1-2,10,15H,3-9,11-14H2/t15-/m0/s1
InChIKeyCGMGGGOJHQMHNL-HNNXBMFYSA-N
MW346.43 g/mol
LogP2.05
Rot. Bonds3

About 2-(furan-2-ylmethyl)-9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(furan-2-ylmethyl)-9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97120010) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97120010
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-(furan-2-ylmethyl)-9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(C(=O)[C@H]3CCOC3)CC2)CN1Cc1ccco1
InChIInChI=1S/C19H26N2O4/c22-17-3-5-19(14-21(17)12-16-2-1-10-25-16)6-8-20(9-7-19)18(23)15-4-11-24-13-15/h1-2,10,15H,3-9,11-14H2/t15-/m0/s1
InChIKeyCGMGGGOJHQMHNL-HNNXBMFYSA-N
XLogP2.05
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(furan-2-ylmethyl)-9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97120010) is 2-(furan-2-ylmethyl)-9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(furan-2-ylmethyl)-9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(furan-2-ylmethyl)-9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(C(=O)[C@H]3CCOC3)CC2)CN1Cc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethyl)-9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is CGMGGGOJHQMHNL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N2O4/c22-17-3-5-19(14-21(17)12-16-2-1-10-25-16)6-8-20(9-7-19)18(23)15-4-11-24-13-15/h1-2,10,15H,3-9,11-14H2/t15-/m0/s1.
What are the key properties of 2-(furan-2-ylmethyl)-9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(furan-2-ylmethyl)-9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 346.43 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97120010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).