8-(cyclopropylmethyl)-4-(furan-3-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

C16H22N2O4 — CID 131644336

IUPAC8-(cyclopropylmethyl)-4-(furan-3-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESO=C1COC2(COCCN(CC3CC3)C2)CN1c1ccoc1
InChIInChI=1S/C16H22N2O4/c19-15-9-22-16(11-18(15)14-3-5-20-8-14)10-17(4-6-21-12-16)7-13-1-2-13/h3,5,8,13H,1-2,4,6-7,9-12H2
InChIKeyGVNGNQGJRVPDNI-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.12
Rot. Bonds3

About 8-(cyclopropylmethyl)-4-(furan-3-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

8-(cyclopropylmethyl)-4-(furan-3-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (PubChem CID 131644336) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-4-(furan-3-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-4-(furan-3-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
PubChem CID131644336
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name8-(cyclopropylmethyl)-4-(furan-3-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESO=C1COC2(COCCN(CC3CC3)C2)CN1c1ccoc1
InChIInChI=1S/C16H22N2O4/c19-15-9-22-16(11-18(15)14-3-5-20-8-14)10-17(4-6-21-12-16)7-13-1-2-13/h3,5,8,13H,1-2,4,6-7,9-12H2
InChIKeyGVNGNQGJRVPDNI-UHFFFAOYSA-N
XLogP1.12
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(cyclopropylmethyl)-4-(furan-3-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one with MolForge

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Related Compounds

(6R)-8-(oxan-4-ylmethyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374541
(6S)-4-(furan-3-yl)-N,N-dimethyl-3-oxo-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
CID 97374677
8-(oxan-4-ylmethyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155854448
(6R)-4-(furan-3-yl)-8-(1H-pyrrole-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97399570
[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(furan-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 118744600
(6S)-8-[(4-fluorophenyl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374532
(6R)-8-[(4-fluorophenyl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374531
8-(2-cyclopropylacetyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 134077563
8-(2-hydroxyethyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131662857
4-(cyclopropylmethyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131652382
1-[(6R)-4-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97373186
(6S)-4-phenyl-8-(thiophen-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374524

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-4-(furan-3-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 8-(cyclopropylmethyl)-4-(furan-3-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (CID 131644336) is 8-(cyclopropylmethyl)-4-(furan-3-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 8-(cyclopropylmethyl)-4-(furan-3-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 8-(cyclopropylmethyl)-4-(furan-3-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is O=C1COC2(COCCN(CC3CC3)C2)CN1c1ccoc1.
What is the InChIKey of 8-(cyclopropylmethyl)-4-(furan-3-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The InChIKey is GVNGNQGJRVPDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c19-15-9-22-16(11-18(15)14-3-5-20-8-14)10-17(4-6-21-12-16)7-13-1-2-13/h3,5,8,13H,1-2,4,6-7,9-12H2.
What are the key properties of 8-(cyclopropylmethyl)-4-(furan-3-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
8-(cyclopropylmethyl)-4-(furan-3-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one has a molecular weight of 306.36 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-4-(furan-3-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 131644336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).