(5R)-4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C18H26N2O3 — CID 97471586

IUPAC(5R)-4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@H]1N(CC2CC2)C(=O)COC12CCN(Cc1ccco1)CC2
InChIInChI=1S/C18H26N2O3/c1-14-18(23-13-17(21)20(14)11-15-4-5-15)6-8-19(9-7-18)12-16-3-2-10-22-16/h2-3,10,14-15H,4-9,11-13H2,1H3/t14-/m1/s1
InChIKeyMEVIYMRJHYFDKR-CQSZACIVSA-N
MW318.42 g/mol
LogP2.27
Rot. Bonds4

About (5R)-4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

(5R)-4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97471586) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (5R)-4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(5R)-4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97471586
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(5R)-4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@H]1N(CC2CC2)C(=O)COC12CCN(Cc1ccco1)CC2
InChIInChI=1S/C18H26N2O3/c1-14-18(23-13-17(21)20(14)11-15-4-5-15)6-8-19(9-7-18)12-16-3-2-10-22-16/h2-3,10,14-15H,4-9,11-13H2,1H3/t14-/m1/s1
InChIKeyMEVIYMRJHYFDKR-CQSZACIVSA-N
XLogP2.27
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylmethyl)-5-methyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131640449
4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97384689
4-(cyclopropylmethyl)-N,N,5-trimethyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 131658398
1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one
CID 21364431
4-(cyclopropylmethyl)-5-methyl-9-(5-methylthiadiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131679899
(5S,6R)-N-(cyclopropylmethyl)-8-(furan-2-ylmethyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 133141385
4-(dimethylamino)-1-(furan-2-ylmethyl)piperidine-4-carboxylic acid
CID 117011999
(3R)-1-(cyclopropylmethyl)-1'-(furan-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 97415648
8-(furan-2-ylmethyl)-1-methyl-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 131639615
9-(furan-2-ylmethyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one;bis(2,2,2-trifluoroacetic acid)
CID 118746910
[4-amino-1-(furan-2-ylmethyl)piperidin-4-yl]methanol
CID 117012092
3-[9-(furan-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1,1-dimethylurea
CID 131648359

Frequently Asked Questions

What is the IUPAC name of (5R)-4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (5R)-4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97471586) is (5R)-4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (5R)-4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (5R)-4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is C[C@H]1N(CC2CC2)C(=O)COC12CCN(Cc1ccco1)CC2.
What is the InChIKey of (5R)-4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is MEVIYMRJHYFDKR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14-18(23-13-17(21)20(14)11-15-4-5-15)6-8-19(9-7-18)12-16-3-2-10-22-16/h2-3,10,14-15H,4-9,11-13H2,1H3/t14-/m1/s1.
What are the key properties of (5R)-4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
(5R)-4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 318.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97471586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).