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

C17H24N2O3 — CID 97384689

IUPAC4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(Cc3ccco3)CC2)CN1CC1CC1
InChIInChI=1S/C17H24N2O3/c20-16-12-22-17(13-19(16)10-14-3-4-14)5-7-18(8-6-17)11-15-2-1-9-21-15/h1-2,9,14H,3-8,10-13H2
InChIKeyDPAALSRNJJCIAB-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.88
Rot. Bonds4

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

4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97384689) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97384689
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(Cc3ccco3)CC2)CN1CC1CC1
InChIInChI=1S/C17H24N2O3/c20-16-12-22-17(13-19(16)10-14-3-4-14)5-7-18(8-6-17)11-15-2-1-9-21-15/h1-2,9,14H,3-8,10-13H2
InChIKeyDPAALSRNJJCIAB-UHFFFAOYSA-N
XLogP1.88
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471586
4-(cyclopropylmethyl)-9-cyclopropylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97384702
9-(furan-2-ylmethyl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155841444
(3R)-1-(cyclopropylmethyl)-1'-(furan-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 97415648
9-[(5-methylfuran-2-yl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471398
2-(cyclohexylmethyl)-1'-(furan-2-ylmethyl)spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione;2,2,2-trifluoroacetic acid
CID 155827527
4-(cyclopropylmethyl)-9-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471430
(3R)-8-(furan-2-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
CID 97371301
(2S)-N,8-bis(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97422219
[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
(4S,5S)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-7-(furan-2-ylmethyl)-2,7-diazaspiro[4.4]nonane
CID 124797468

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97384689) is 4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(Cc3ccco3)CC2)CN1CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is DPAALSRNJJCIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-16-12-22-17(13-19(16)10-14-3-4-14)5-7-18(8-6-17)11-15-2-1-9-21-15/h1-2,9,14H,3-8,10-13H2.
What are the key properties of 4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 304.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97384689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).