N-[(Z,2R,3R)-1,3-dihydroxyhept-4-en-2-yl]acetamide

C9H17NO3 — CID 25141059

IUPACN-[(Z,2R,3R)-1,3-dihydroxyhept-4-en-2-yl]acetamide
SMILESCC/C=C\[C@@H](O)[C@@H](CO)NC(C)=O
InChIInChI=1S/C9H17NO3/c1-3-4-5-9(13)8(6-11)10-7(2)12/h4-5,8-9,11,13H,3,6H2,1-2H3,(H,10,12)/b5-4-/t8-,9-/m1/s1
InChIKeyOSQKYXSDUMJDCJ-UVSMVFJQSA-N
MW187.24 g/mol
LogP-0.19
Rot. Bonds5

About N-[(Z,2R,3R)-1,3-dihydroxyhept-4-en-2-yl]acetamide

N-[(Z,2R,3R)-1,3-dihydroxyhept-4-en-2-yl]acetamide (PubChem CID 25141059) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-[(Z,2R,3R)-1,3-dihydroxyhept-4-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z,2R,3R)-1,3-dihydroxyhept-4-en-2-yl]acetamide
PubChem CID25141059
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-[(Z,2R,3R)-1,3-dihydroxyhept-4-en-2-yl]acetamide
SMILESCC/C=C\[C@@H](O)[C@@H](CO)NC(C)=O
InChIInChI=1S/C9H17NO3/c1-3-4-5-9(13)8(6-11)10-7(2)12/h4-5,8-9,11,13H,3,6H2,1-2H3,(H,10,12)/b5-4-/t8-,9-/m1/s1
InChIKeyOSQKYXSDUMJDCJ-UVSMVFJQSA-N
XLogP-0.19
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
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-[(Z,2R,3R)-1,3-dihydroxyhept-4-en-2-yl]acetamide?
The IUPAC name of N-[(Z,2R,3R)-1,3-dihydroxyhept-4-en-2-yl]acetamide (CID 25141059) is N-[(Z,2R,3R)-1,3-dihydroxyhept-4-en-2-yl]acetamide.
What is the SMILES notation for N-[(Z,2R,3R)-1,3-dihydroxyhept-4-en-2-yl]acetamide?
The canonical SMILES for N-[(Z,2R,3R)-1,3-dihydroxyhept-4-en-2-yl]acetamide is CC/C=C\[C@@H](O)[C@@H](CO)NC(C)=O.
What is the InChIKey of N-[(Z,2R,3R)-1,3-dihydroxyhept-4-en-2-yl]acetamide?
The InChIKey is OSQKYXSDUMJDCJ-UVSMVFJQSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-4-5-9(13)8(6-11)10-7(2)12/h4-5,8-9,11,13H,3,6H2,1-2H3,(H,10,12)/b5-4-/t8-,9-/m1/s1.
What are the key properties of N-[(Z,2R,3R)-1,3-dihydroxyhept-4-en-2-yl]acetamide?
N-[(Z,2R,3R)-1,3-dihydroxyhept-4-en-2-yl]acetamide has a molecular weight of 187.24 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,2R,3R)-1,3-dihydroxyhept-4-en-2-yl]acetamide is sourced from PubChem (CID 25141059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).