2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]acetamide

C16H25NO3 — CID 97258947

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]acetamide
SMILESO=C(C[C@@H]1C=CCC1)NC[C@@H]1COC2(CCCCC2)O1
InChIInChI=1S/C16H25NO3/c18-15(10-13-6-2-3-7-13)17-11-14-12-19-16(20-14)8-4-1-5-9-16/h2,6,13-14H,1,3-5,7-12H2,(H,17,18)/t13-,14-/m1/s1
InChIKeyJJVBGUZSNAXMII-ZIAGYGMSSA-N
MW279.38 g/mol
LogP2.53
Rot. Bonds4

About 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]acetamide

2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]acetamide (PubChem CID 97258947) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]acetamide
PubChem CID97258947
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]acetamide
SMILESO=C(C[C@@H]1C=CCC1)NC[C@@H]1COC2(CCCCC2)O1
InChIInChI=1S/C16H25NO3/c18-15(10-13-6-2-3-7-13)17-11-14-12-19-16(20-14)8-4-1-5-9-16/h2,6,13-14H,1,3-5,7-12H2,(H,17,18)/t13-,14-/m1/s1
InChIKeyJJVBGUZSNAXMII-ZIAGYGMSSA-N
XLogP2.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
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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Related Compounds

N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]cyclohexanecarboxamide
CID 51474688
2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide
CID 18583785
N'-cyclopropyl-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
CID 7646222
N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-phenylpropanamide
CID 7423508
2-[cyclopropyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide
CID 84598754
N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-methyloxamide
CID 18583865
N'-cycloheptyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 18583998
N'-cyclohexyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide
CID 18583844
N'-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-propyloxamide
CID 7645652
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]adamantane-1-carboxamide
CID 41412201
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 75444566
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(1H-indol-3-yl)acetamide
CID 97258866

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]acetamide?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]acetamide (CID 97258947) is 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]acetamide.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]acetamide?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]acetamide is O=C(C[C@@H]1C=CCC1)NC[C@@H]1COC2(CCCCC2)O1.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]acetamide?
The InChIKey is JJVBGUZSNAXMII-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H25NO3/c18-15(10-13-6-2-3-7-13)17-11-14-12-19-16(20-14)8-4-1-5-9-16/h2,6,13-14H,1,3-5,7-12H2,(H,17,18)/t13-,14-/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]acetamide?
2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]acetamide has a molecular weight of 279.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]acetamide is sourced from PubChem (CID 97258947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).