N-[(4R,5R)-3,5-dihydroxyoct-1-en-7-yn-4-yl]acetamide

C10H15NO3 — CID 54754849

IUPACN-[(4R,5R)-3,5-dihydroxyoct-1-en-7-yn-4-yl]acetamide
SMILESC#CC[C@@H](O)[C@@H](NC(C)=O)C(O)C=C
InChIInChI=1S/C10H15NO3/c1-4-6-9(14)10(8(13)5-2)11-7(3)12/h1,5,8-10,13-14H,2,6H2,3H3,(H,11,12)/t8?,9-,10+/m1/s1
InChIKeyNNEDJFUVIWJDGQ-XVBQNVSMSA-N
MW197.23 g/mol
LogP-0.58
Rot. Bonds5

About N-[(4R,5R)-3,5-dihydroxyoct-1-en-7-yn-4-yl]acetamide

N-[(4R,5R)-3,5-dihydroxyoct-1-en-7-yn-4-yl]acetamide (PubChem CID 54754849) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is N-[(4R,5R)-3,5-dihydroxyoct-1-en-7-yn-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4R,5R)-3,5-dihydroxyoct-1-en-7-yn-4-yl]acetamide
PubChem CID54754849
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC NameN-[(4R,5R)-3,5-dihydroxyoct-1-en-7-yn-4-yl]acetamide
SMILESC#CC[C@@H](O)[C@@H](NC(C)=O)C(O)C=C
InChIInChI=1S/C10H15NO3/c1-4-6-9(14)10(8(13)5-2)11-7(3)12/h1,5,8-10,13-14H,2,6H2,3H3,(H,11,12)/t8?,9-,10+/m1/s1
InChIKeyNNEDJFUVIWJDGQ-XVBQNVSMSA-N
XLogP-0.58
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4R,5R)-3,5-dihydroxyoct-1-en-7-yn-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylhex-5-yn-3-yl)acetamide
CID 130015615
(3R,4S,5R)-4-[4-[tert-butyl(dimethyl)silyl]oxybutoxy]oct-1-en-7-yne-3,5-diol
CID 11325348
(3S)-2-methylhex-5-yn-3-ol
CID 11789160
3-hydroxyhex-5-yn-2-yl carbamate
CID 175152503
tert-butyl N-[(3S)-4-hydroxy-2-methylhex-5-en-3-yl]carbamate
CID 11322160
N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide;N-[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
CID 87346287
N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
CID 87277694
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxynon-8-ynal
CID 90239143
N-[(2R,3R,4R,5S)-3,4,5-trihydroxy-1,6-dioxohexan-2-yl]acetamide
CID 175918337
(3S)-5-methyloct-1-en-7-yn-3-ol
CID 170044483
(6S,7R)-6,7-dihydroxynon-8-en-2-one
CID 59003863
N-(1-acetamidobut-3-enyl)acetamide
CID 88635946

Frequently Asked Questions

What is the IUPAC name of N-[(4R,5R)-3,5-dihydroxyoct-1-en-7-yn-4-yl]acetamide?
The IUPAC name of N-[(4R,5R)-3,5-dihydroxyoct-1-en-7-yn-4-yl]acetamide (CID 54754849) is N-[(4R,5R)-3,5-dihydroxyoct-1-en-7-yn-4-yl]acetamide.
What is the SMILES notation for N-[(4R,5R)-3,5-dihydroxyoct-1-en-7-yn-4-yl]acetamide?
The canonical SMILES for N-[(4R,5R)-3,5-dihydroxyoct-1-en-7-yn-4-yl]acetamide is C#CC[C@@H](O)[C@@H](NC(C)=O)C(O)C=C.
What is the InChIKey of N-[(4R,5R)-3,5-dihydroxyoct-1-en-7-yn-4-yl]acetamide?
The InChIKey is NNEDJFUVIWJDGQ-XVBQNVSMSA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-6-9(14)10(8(13)5-2)11-7(3)12/h1,5,8-10,13-14H,2,6H2,3H3,(H,11,12)/t8?,9-,10+/m1/s1.
What are the key properties of N-[(4R,5R)-3,5-dihydroxyoct-1-en-7-yn-4-yl]acetamide?
N-[(4R,5R)-3,5-dihydroxyoct-1-en-7-yn-4-yl]acetamide has a molecular weight of 197.23 g/mol, XLogP of -0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R,5R)-3,5-dihydroxyoct-1-en-7-yn-4-yl]acetamide is sourced from PubChem (CID 54754849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).