N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide

C16H21NO4 — CID 71960952

IUPACN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C16H21NO4/c18-15(7-6-13-5-4-10-19-13)17-11-14-12-20-16(21-14)8-2-1-3-9-16/h4-7,10,14H,1-3,8-9,11-12H2,(H,17,18)
InChIKeyYHFMBWCRALWZJF-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.48
Rot. Bonds4

About N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 71960952) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID71960952
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C16H21NO4/c18-15(7-6-13-5-4-10-19-13)17-11-14-12-20-16(21-14)8-2-1-3-9-16/h4-7,10,14H,1-3,8-9,11-12H2,(H,17,18)
InChIKeyYHFMBWCRALWZJF-UHFFFAOYSA-N
XLogP2.48
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide (CID 71960952) is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide is O=C(C=Cc1ccco1)NCC1COC2(CCCCC2)O1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is YHFMBWCRALWZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c18-15(7-6-13-5-4-10-19-13)17-11-14-12-20-16(21-14)8-2-1-3-9-16/h4-7,10,14H,1-3,8-9,11-12H2,(H,17,18).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide?
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 291.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 71960952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).