N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopropanecarboxamide

C13H21NO3 — CID 7423488

IUPACN-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NC[C@@H]1COC2(CCCCC2)O1)C1CC1
InChIInChI=1S/C13H21NO3/c15-12(10-4-5-10)14-8-11-9-16-13(17-11)6-2-1-3-7-13/h10-11H,1-9H2,(H,14,15)/t11-/m1/s1
InChIKeyVLMXLQJYGBCIGV-LLVKDONJSA-N
MW239.31 g/mol
LogP1.59
Rot. Bonds3

About N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopropanecarboxamide

N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopropanecarboxamide (PubChem CID 7423488) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopropanecarboxamide
PubChem CID7423488
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NC[C@@H]1COC2(CCCCC2)O1)C1CC1
InChIInChI=1S/C13H21NO3/c15-12(10-4-5-10)14-8-11-9-16-13(17-11)6-2-1-3-7-13/h10-11H,1-9H2,(H,14,15)/t11-/m1/s1
InChIKeyVLMXLQJYGBCIGV-LLVKDONJSA-N
XLogP1.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 18583777
CID 18583777
CID 18583791
CID 18583791
CID 18583913
CID 18583913
CID 7423470
CID 7423470
CID 7423471
CID 7423471
CID 7423487
CID 7423487
CID 7423492
CID 7423492
CID 7423493
CID 7423493
CID 11138442
CID 11138442
CID 18583784
CID 18583784
CID 18583811
CID 18583811
CID 45519439
CID 45519439

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopropanecarboxamide (CID 7423488) is N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopropanecarboxamide is O=C(NC[C@@H]1COC2(CCCCC2)O1)C1CC1.
What is the InChIKey of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopropanecarboxamide?
The InChIKey is VLMXLQJYGBCIGV-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21NO3/c15-12(10-4-5-10)14-8-11-9-16-13(17-11)6-2-1-3-7-13/h10-11H,1-9H2,(H,14,15)/t11-/m1/s1.
What are the key properties of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopropanecarboxamide?
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopropanecarboxamide has a molecular weight of 239.31 g/mol, XLogP of 1.59, 3 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[4.5]decan-3-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 7423488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).