N-[[(3R)-1,4-dioxaspiro[4.6]undecan-3-yl]methyl]pent-4-enamide

C15H25NO3 — CID 97338637

IUPACN-[[(3R)-1,4-dioxaspiro[4.6]undecan-3-yl]methyl]pent-4-enamide
SMILESC=CCCC(=O)NC[C@@H]1COC2(CCCCCC2)O1
InChIInChI=1S/C15H25NO3/c1-2-3-8-14(17)16-11-13-12-18-15(19-13)9-6-4-5-7-10-15/h2,13H,1,3-12H2,(H,16,17)/t13-/m1/s1
InChIKeyDKISHEBNPBWEPA-CYBMUJFWSA-N
MW267.37 g/mol
LogP2.53
Rot. Bonds5

About N-[[(3R)-1,4-dioxaspiro[4.6]undecan-3-yl]methyl]pent-4-enamide

N-[[(3R)-1,4-dioxaspiro[4.6]undecan-3-yl]methyl]pent-4-enamide (PubChem CID 97338637) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[(3R)-1,4-dioxaspiro[4.6]undecan-3-yl]methyl]pent-4-enamide.

Molecular Properties

Compound NameN-[[(3R)-1,4-dioxaspiro[4.6]undecan-3-yl]methyl]pent-4-enamide
PubChem CID97338637
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-[[(3R)-1,4-dioxaspiro[4.6]undecan-3-yl]methyl]pent-4-enamide
SMILESC=CCCC(=O)NC[C@@H]1COC2(CCCCCC2)O1
InChIInChI=1S/C15H25NO3/c1-2-3-8-14(17)16-11-13-12-18-15(19-13)9-6-4-5-7-10-15/h2,13H,1,3-12H2,(H,16,17)/t13-/m1/s1
InChIKeyDKISHEBNPBWEPA-CYBMUJFWSA-N
XLogP2.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.53
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 N-[[(3R)-1,4-dioxaspiro[4.6]undecan-3-yl]methyl]pent-4-enamide?
The IUPAC name of N-[[(3R)-1,4-dioxaspiro[4.6]undecan-3-yl]methyl]pent-4-enamide (CID 97338637) is N-[[(3R)-1,4-dioxaspiro[4.6]undecan-3-yl]methyl]pent-4-enamide.
What is the SMILES notation for N-[[(3R)-1,4-dioxaspiro[4.6]undecan-3-yl]methyl]pent-4-enamide?
The canonical SMILES for N-[[(3R)-1,4-dioxaspiro[4.6]undecan-3-yl]methyl]pent-4-enamide is C=CCCC(=O)NC[C@@H]1COC2(CCCCCC2)O1.
What is the InChIKey of N-[[(3R)-1,4-dioxaspiro[4.6]undecan-3-yl]methyl]pent-4-enamide?
The InChIKey is DKISHEBNPBWEPA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-3-8-14(17)16-11-13-12-18-15(19-13)9-6-4-5-7-10-15/h2,13H,1,3-12H2,(H,16,17)/t13-/m1/s1.
What are the key properties of N-[[(3R)-1,4-dioxaspiro[4.6]undecan-3-yl]methyl]pent-4-enamide?
N-[[(3R)-1,4-dioxaspiro[4.6]undecan-3-yl]methyl]pent-4-enamide has a molecular weight of 267.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1,4-dioxaspiro[4.6]undecan-3-yl]methyl]pent-4-enamide is sourced from PubChem (CID 97338637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).