[9-[ethyl(methyl)amino]-3-azaspiro[5.5]undec-10-en-3-yl]-(furan-2-yl)methanone

C18H26N2O2 — CID 134077575

IUPAC[9-[ethyl(methyl)amino]-3-azaspiro[5.5]undec-10-en-3-yl]-(furan-2-yl)methanone
SMILESCCN(C)C1C=CC2(CC1)CCN(C(=O)c1ccco1)CC2
InChIInChI=1S/C18H26N2O2/c1-3-19(2)15-6-8-18(9-7-15)10-12-20(13-11-18)17(21)16-5-4-14-22-16/h4-6,8,14-15H,3,7,9-13H2,1-2H3
InChIKeyIUARGVUXOMZEOK-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.17
Rot. Bonds3

About [9-[ethyl(methyl)amino]-3-azaspiro[5.5]undec-10-en-3-yl]-(furan-2-yl)methanone

[9-[ethyl(methyl)amino]-3-azaspiro[5.5]undec-10-en-3-yl]-(furan-2-yl)methanone (PubChem CID 134077575) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [9-[ethyl(methyl)amino]-3-azaspiro[5.5]undec-10-en-3-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[9-[ethyl(methyl)amino]-3-azaspiro[5.5]undec-10-en-3-yl]-(furan-2-yl)methanone
PubChem CID134077575
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name[9-[ethyl(methyl)amino]-3-azaspiro[5.5]undec-10-en-3-yl]-(furan-2-yl)methanone
SMILESCCN(C)C1C=CC2(CC1)CCN(C(=O)c1ccco1)CC2
InChIInChI=1S/C18H26N2O2/c1-3-19(2)15-6-8-18(9-7-15)10-12-20(13-11-18)17(21)16-5-4-14-22-16/h4-6,8,14-15H,3,7,9-13H2,1-2H3
InChIKeyIUARGVUXOMZEOK-UHFFFAOYSA-N
XLogP3.17
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(furan-2-yl)methanone
CID 118741004
[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone
CID 133141655
3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone
CID 2225250
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
N,N-diethyl-2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 55603086
(5R)-3-ethyl-9-(furan-2-carbonyl)-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide
CID 97360616
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 55475565
[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 7026554
1-(furan-2-carbonyl)-N-methoxy-N-methylpiperidine-4-carboxamide
CID 78814076
N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113158366
furan-2-yl-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 131647701

Frequently Asked Questions

What is the IUPAC name of [9-[ethyl(methyl)amino]-3-azaspiro[5.5]undec-10-en-3-yl]-(furan-2-yl)methanone?
The IUPAC name of [9-[ethyl(methyl)amino]-3-azaspiro[5.5]undec-10-en-3-yl]-(furan-2-yl)methanone (CID 134077575) is [9-[ethyl(methyl)amino]-3-azaspiro[5.5]undec-10-en-3-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [9-[ethyl(methyl)amino]-3-azaspiro[5.5]undec-10-en-3-yl]-(furan-2-yl)methanone?
The canonical SMILES for [9-[ethyl(methyl)amino]-3-azaspiro[5.5]undec-10-en-3-yl]-(furan-2-yl)methanone is CCN(C)C1C=CC2(CC1)CCN(C(=O)c1ccco1)CC2.
What is the InChIKey of [9-[ethyl(methyl)amino]-3-azaspiro[5.5]undec-10-en-3-yl]-(furan-2-yl)methanone?
The InChIKey is IUARGVUXOMZEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-19(2)15-6-8-18(9-7-15)10-12-20(13-11-18)17(21)16-5-4-14-22-16/h4-6,8,14-15H,3,7,9-13H2,1-2H3.
What are the key properties of [9-[ethyl(methyl)amino]-3-azaspiro[5.5]undec-10-en-3-yl]-(furan-2-yl)methanone?
[9-[ethyl(methyl)amino]-3-azaspiro[5.5]undec-10-en-3-yl]-(furan-2-yl)methanone has a molecular weight of 302.42 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[ethyl(methyl)amino]-3-azaspiro[5.5]undec-10-en-3-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 134077575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).