4-methyl-1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pent-4-en-1-one

C19H34N2O — CID 170953549

IUPAC4-methyl-1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pent-4-en-1-one
SMILESC=C(C)CCC(=O)N1CCC2(CCN(CC(C)C)CC2)CC1
InChIInChI=1S/C19H34N2O/c1-16(2)5-6-18(22)21-13-9-19(10-14-21)7-11-20(12-8-19)15-17(3)4/h17H,1,5-15H2,2-4H3
InChIKeyWVRRCMQWFFWQSD-UHFFFAOYSA-N
MW306.49 g/mol
LogP3.70
Rot. Bonds5

About 4-methyl-1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pent-4-en-1-one

4-methyl-1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pent-4-en-1-one (PubChem CID 170953549) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 4-methyl-1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pent-4-en-1-one.

Molecular Properties

Compound Name4-methyl-1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pent-4-en-1-one
PubChem CID170953549
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name4-methyl-1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pent-4-en-1-one
SMILESC=C(C)CCC(=O)N1CCC2(CCN(CC(C)C)CC2)CC1
InChIInChI=1S/C19H34N2O/c1-16(2)5-6-18(22)21-13-9-19(10-14-21)7-11-20(12-8-19)15-17(3)4/h17H,1,5-15H2,2-4H3
InChIKeyWVRRCMQWFFWQSD-UHFFFAOYSA-N
XLogP3.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one
CID 155579599
ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one
CID 155707184
4-methyl-1-[9-(2-methylheptyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one
CID 166678947
3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
CID 156860444
1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(propan-2-ylamino)ethanone
CID 155404886
1-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-one
CID 113072856
1-[2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]ethanone
CID 176559306
2-(ethylamino)-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 156795215
2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane
CID 129193421
1-(8-azaspiro[4.5]decan-8-yl)-3-(propan-2-ylamino)propan-1-one
CID 63163607
1-(2,7-diazaspiro[3.5]nonan-7-yl)-4-methylpentan-1-one
CID 137433036
2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 2756453

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pent-4-en-1-one?
The IUPAC name of 4-methyl-1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pent-4-en-1-one (CID 170953549) is 4-methyl-1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pent-4-en-1-one.
What is the SMILES notation for 4-methyl-1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pent-4-en-1-one?
The canonical SMILES for 4-methyl-1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pent-4-en-1-one is C=C(C)CCC(=O)N1CCC2(CCN(CC(C)C)CC2)CC1.
What is the InChIKey of 4-methyl-1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pent-4-en-1-one?
The InChIKey is WVRRCMQWFFWQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-16(2)5-6-18(22)21-13-9-19(10-14-21)7-11-20(12-8-19)15-17(3)4/h17H,1,5-15H2,2-4H3.
What are the key properties of 4-methyl-1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pent-4-en-1-one?
4-methyl-1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pent-4-en-1-one has a molecular weight of 306.49 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pent-4-en-1-one is sourced from PubChem (CID 170953549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).