(Z,4Z)-4-(8,8-difluoro-4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)pent-2-enal

C14H18F2N2O2 — CID 135258960

IUPAC(Z,4Z)-4-(8,8-difluoro-4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)pent-2-enal
SMILESCC(/C=C\C=O)=C1\C(=O)NC2(CCC(F)(F)CC2)N1C
InChIInChI=1S/C14H18F2N2O2/c1-10(4-3-9-19)11-12(20)17-14(18(11)2)7-5-13(15,16)6-8-14/h3-4,9H,5-8H2,1-2H3,(H,17,20)/b4-3-,11-10-
InChIKeyCIPOXQJDPNTTBH-WXRHCNDASA-N
MW284.31 g/mol
LogP1.98
Rot. Bonds2

About (Z,4Z)-4-(8,8-difluoro-4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)pent-2-enal

(Z,4Z)-4-(8,8-difluoro-4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)pent-2-enal (PubChem CID 135258960) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is (Z,4Z)-4-(8,8-difluoro-4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)pent-2-enal.

Molecular Properties

Compound Name(Z,4Z)-4-(8,8-difluoro-4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)pent-2-enal
PubChem CID135258960
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name(Z,4Z)-4-(8,8-difluoro-4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)pent-2-enal
SMILESCC(/C=C\C=O)=C1\C(=O)NC2(CCC(F)(F)CC2)N1C
InChIInChI=1S/C14H18F2N2O2/c1-10(4-3-9-19)11-12(20)17-14(18(11)2)7-5-13(15,16)6-8-14/h3-4,9H,5-8H2,1-2H3,(H,17,20)/b4-3-,11-10-
InChIKeyCIPOXQJDPNTTBH-WXRHCNDASA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,4Z)-4-(8,8-difluoro-4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)pent-2-enal?
The IUPAC name of (Z,4Z)-4-(8,8-difluoro-4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)pent-2-enal (CID 135258960) is (Z,4Z)-4-(8,8-difluoro-4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)pent-2-enal.
What is the SMILES notation for (Z,4Z)-4-(8,8-difluoro-4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)pent-2-enal?
The canonical SMILES for (Z,4Z)-4-(8,8-difluoro-4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)pent-2-enal is CC(/C=C\C=O)=C1\C(=O)NC2(CCC(F)(F)CC2)N1C.
What is the InChIKey of (Z,4Z)-4-(8,8-difluoro-4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)pent-2-enal?
The InChIKey is CIPOXQJDPNTTBH-WXRHCNDASA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-10(4-3-9-19)11-12(20)17-14(18(11)2)7-5-13(15,16)6-8-14/h3-4,9H,5-8H2,1-2H3,(H,17,20)/b4-3-,11-10-.
What are the key properties of (Z,4Z)-4-(8,8-difluoro-4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)pent-2-enal?
(Z,4Z)-4-(8,8-difluoro-4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)pent-2-enal has a molecular weight of 284.31 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4Z)-4-(8,8-difluoro-4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)pent-2-enal is sourced from PubChem (CID 135258960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).