N-(5-hydroxy-3-propan-2-yloxy-2,7-dioxabicyclo[4.1.0]heptan-4-yl)acetamide

C10H17NO5 — CID 130253352

IUPACN-(5-hydroxy-3-propan-2-yloxy-2,7-dioxabicyclo[4.1.0]heptan-4-yl)acetamide
SMILESCC(=O)NC1C(OC(C)C)OC2OC2C1O
InChIInChI=1S/C10H17NO5/c1-4(2)14-9-6(11-5(3)12)7(13)8-10(15-8)16-9/h4,6-10,13H,1-3H3,(H,11,12)
InChIKeyQWVRLVCODODWBT-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.64
Rot. Bonds3

About N-(5-hydroxy-3-propan-2-yloxy-2,7-dioxabicyclo[4.1.0]heptan-4-yl)acetamide

N-(5-hydroxy-3-propan-2-yloxy-2,7-dioxabicyclo[4.1.0]heptan-4-yl)acetamide (PubChem CID 130253352) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(5-hydroxy-3-propan-2-yloxy-2,7-dioxabicyclo[4.1.0]heptan-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-hydroxy-3-propan-2-yloxy-2,7-dioxabicyclo[4.1.0]heptan-4-yl)acetamide
PubChem CID130253352
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC NameN-(5-hydroxy-3-propan-2-yloxy-2,7-dioxabicyclo[4.1.0]heptan-4-yl)acetamide
SMILESCC(=O)NC1C(OC(C)C)OC2OC2C1O
InChIInChI=1S/C10H17NO5/c1-4(2)14-9-6(11-5(3)12)7(13)8-10(15-8)16-9/h4,6-10,13H,1-3H3,(H,11,12)
InChIKeyQWVRLVCODODWBT-UHFFFAOYSA-N
XLogP-0.64
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-[(2S,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide
CID 7659071
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide
CID 7573802
N-[(2S,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide
CID 7659073
N-[(3aR,5S,6R,7R,7aR)-2,2-ditert-butyl-7-hydroxy-5-propan-2-yloxy-5,6,7,7a-tetrahydro-3aH-[1,3,2]dioxasilolo[4,5-b]pyran-6-yl]-2,2,2-trifluoroacetamide
CID 177495950
N-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3-methyl-4-oxopentan-2-yl)oxyoxan-3-yl]acetamide
CID 59751648
(2R)-2-[[(1S,2R,3S,4S,5S)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanamide
CID 50930450
(2S,3R)-3-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-aminobutanoic acid
CID 101084997
(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-aminobutanoic acid
CID 10914240
N-[(1S,3S,5R,6R,7S,8R,11R,13R,14R,15R)-6,7,15-trihydroxy-5-(hydroxymethyl)-13-methoxy-2,4,9,12-tetraoxatricyclo[9.4.0.03,8]pentadecan-14-yl]acetamide
CID 101185162
N-[(1R,2S,3R,4R,5R)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
CID 14308166
N-[(1R,2R,3S,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]acetamide
CID 57197157
N-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]-2,2,2-trifluoroacetamide
CID 138660653

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-3-propan-2-yloxy-2,7-dioxabicyclo[4.1.0]heptan-4-yl)acetamide?
The IUPAC name of N-(5-hydroxy-3-propan-2-yloxy-2,7-dioxabicyclo[4.1.0]heptan-4-yl)acetamide (CID 130253352) is N-(5-hydroxy-3-propan-2-yloxy-2,7-dioxabicyclo[4.1.0]heptan-4-yl)acetamide.
What is the SMILES notation for N-(5-hydroxy-3-propan-2-yloxy-2,7-dioxabicyclo[4.1.0]heptan-4-yl)acetamide?
The canonical SMILES for N-(5-hydroxy-3-propan-2-yloxy-2,7-dioxabicyclo[4.1.0]heptan-4-yl)acetamide is CC(=O)NC1C(OC(C)C)OC2OC2C1O.
What is the InChIKey of N-(5-hydroxy-3-propan-2-yloxy-2,7-dioxabicyclo[4.1.0]heptan-4-yl)acetamide?
The InChIKey is QWVRLVCODODWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-4(2)14-9-6(11-5(3)12)7(13)8-10(15-8)16-9/h4,6-10,13H,1-3H3,(H,11,12).
What are the key properties of N-(5-hydroxy-3-propan-2-yloxy-2,7-dioxabicyclo[4.1.0]heptan-4-yl)acetamide?
N-(5-hydroxy-3-propan-2-yloxy-2,7-dioxabicyclo[4.1.0]heptan-4-yl)acetamide has a molecular weight of 231.25 g/mol, XLogP of -0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-3-propan-2-yloxy-2,7-dioxabicyclo[4.1.0]heptan-4-yl)acetamide is sourced from PubChem (CID 130253352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).