8-(1H-imidazol-2-ylmethyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one

C17H26N4O — CID 72867383

IUPAC8-(1H-imidazol-2-ylmethyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)=CCN1CC2(CCN(Cc3ncc[nH]3)CC2)CC1=O
InChIInChI=1S/C17H26N4O/c1-14(2)3-8-21-13-17(11-16(21)22)4-9-20(10-5-17)12-15-18-6-7-19-15/h3,6-7H,4-5,8-13H2,1-2H3,(H,18,19)
InChIKeyCMELYURRXVJKEZ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.19
Rot. Bonds4

About 8-(1H-imidazol-2-ylmethyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one

8-(1H-imidazol-2-ylmethyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72867383) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 8-(1H-imidazol-2-ylmethyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(1H-imidazol-2-ylmethyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72867383
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name8-(1H-imidazol-2-ylmethyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)=CCN1CC2(CCN(Cc3ncc[nH]3)CC2)CC1=O
InChIInChI=1S/C17H26N4O/c1-14(2)3-8-21-13-17(11-16(21)22)4-9-20(10-5-17)12-15-18-6-7-19-15/h3,6-7H,4-5,8-13H2,1-2H3,(H,18,19)
InChIKeyCMELYURRXVJKEZ-UHFFFAOYSA-N
XLogP2.19
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(1H-imidazol-2-ylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 70777182
2-(3-methyl-2-buten-1-yl)-8-[3-(2-methyl-1H-imidazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72838620
8-(1H-Imidazol-2-ylmethyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72852965
9-allyl-4-(1H-imidazol-2-ylmethyl)-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 70759071
(4S)-N-ethyl-1-[(2E)-2-methylbut-2-en-1-yl]-4-{[(2-methyl-1H-imidazol-1-yl)acetyl]amino}-L-prolinamide
CID 72861842
4-(1H-imidazol-2-yl)-1-(pyrrolidin-3-ylacetyl)piperidine
CID 77094981
1-(2,2-dimethylpropyl)-3-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]piperidin-2-one
CID 126824246
[(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 120471328
7-(cyclohexylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45228294
5-{[(1H-Imidazol-2-ylmethyl)(isopropyl)amino]methyl}pyrrolidin-2-one
CID 50974228
1-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrrolidin-2-one
CID 56861379
1-[(1-isobutyrylpiperidin-4-yl)methyl]-1H,1'H-2,2'-biimidazole
CID 56872875

Frequently Asked Questions

What is the IUPAC name of 8-(1H-imidazol-2-ylmethyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(1H-imidazol-2-ylmethyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72867383) is 8-(1H-imidazol-2-ylmethyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(1H-imidazol-2-ylmethyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(1H-imidazol-2-ylmethyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one is CC(C)=CCN1CC2(CCN(Cc3ncc[nH]3)CC2)CC1=O.
What is the InChIKey of 8-(1H-imidazol-2-ylmethyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is CMELYURRXVJKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-14(2)3-8-21-13-17(11-16(21)22)4-9-20(10-5-17)12-15-18-6-7-19-15/h3,6-7H,4-5,8-13H2,1-2H3,(H,18,19).
What are the key properties of 8-(1H-imidazol-2-ylmethyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(1H-imidazol-2-ylmethyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 302.42 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-imidazol-2-ylmethyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72867383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).