8-pent-4-enoyl-2-propan-2-yl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one

C18H29N3O2 — CID 67166345

IUPAC8-pent-4-enoyl-2-propan-2-yl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESC=CCCC(=O)N1CCC2(CC1)NC(C(C)C)C(=O)N2CC=C
InChIInChI=1S/C18H29N3O2/c1-5-7-8-15(22)20-12-9-18(10-13-20)19-16(14(3)4)17(23)21(18)11-6-2/h5-6,14,16,19H,1-2,7-13H2,3-4H3
InChIKeyZHADGQSMTNVKAP-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.91
Rot. Bonds6

About 8-pent-4-enoyl-2-propan-2-yl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one

8-pent-4-enoyl-2-propan-2-yl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one (PubChem CID 67166345) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 8-pent-4-enoyl-2-propan-2-yl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-pent-4-enoyl-2-propan-2-yl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one
PubChem CID67166345
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name8-pent-4-enoyl-2-propan-2-yl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESC=CCCC(=O)N1CCC2(CC1)NC(C(C)C)C(=O)N2CC=C
InChIInChI=1S/C18H29N3O2/c1-5-7-8-15(22)20-12-9-18(10-13-20)19-16(14(3)4)17(23)21(18)11-6-2/h5-6,14,16,19H,1-2,7-13H2,3-4H3
InChIKeyZHADGQSMTNVKAP-UHFFFAOYSA-N
XLogP1.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-pent-4-enoyl-2-propan-2-yl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of 8-pent-4-enoyl-2-propan-2-yl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one (CID 67166345) is 8-pent-4-enoyl-2-propan-2-yl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-pent-4-enoyl-2-propan-2-yl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-pent-4-enoyl-2-propan-2-yl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one is C=CCCC(=O)N1CCC2(CC1)NC(C(C)C)C(=O)N2CC=C.
What is the InChIKey of 8-pent-4-enoyl-2-propan-2-yl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one?
The InChIKey is ZHADGQSMTNVKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-5-7-8-15(22)20-12-9-18(10-13-20)19-16(14(3)4)17(23)21(18)11-6-2/h5-6,14,16,19H,1-2,7-13H2,3-4H3.
What are the key properties of 8-pent-4-enoyl-2-propan-2-yl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one?
8-pent-4-enoyl-2-propan-2-yl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one has a molecular weight of 319.45 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pent-4-enoyl-2-propan-2-yl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 67166345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).