N-[(1R,2S,6S)-6-azido-2-(methoxymethoxy)cyclohex-3-en-1-yl]acetamide

C10H16N4O3 — CID 53375308

IUPACN-[(1R,2S,6S)-6-azido-2-(methoxymethoxy)cyclohex-3-en-1-yl]acetamide
SMILESCOCO[C@H]1C=CC[C@H](N=[N+]=[N-])[C@H]1NC(C)=O
InChIInChI=1S/C10H16N4O3/c1-7(15)12-10-8(13-14-11)4-3-5-9(10)17-6-16-2/h3,5,8-10H,4,6H2,1-2H3,(H,12,15)/t8-,9-,10+/m0/s1
InChIKeyKUXLSSYUCAVVOL-LPEHRKFASA-N
MW240.26 g/mol
LogP1.12
Rot. Bonds5

About N-[(1R,2S,6S)-6-azido-2-(methoxymethoxy)cyclohex-3-en-1-yl]acetamide

N-[(1R,2S,6S)-6-azido-2-(methoxymethoxy)cyclohex-3-en-1-yl]acetamide (PubChem CID 53375308) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-[(1R,2S,6S)-6-azido-2-(methoxymethoxy)cyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S,6S)-6-azido-2-(methoxymethoxy)cyclohex-3-en-1-yl]acetamide
PubChem CID53375308
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC NameN-[(1R,2S,6S)-6-azido-2-(methoxymethoxy)cyclohex-3-en-1-yl]acetamide
SMILESCOCO[C@H]1C=CC[C@H](N=[N+]=[N-])[C@H]1NC(C)=O
InChIInChI=1S/C10H16N4O3/c1-7(15)12-10-8(13-14-11)4-3-5-9(10)17-6-16-2/h3,5,8-10H,4,6H2,1-2H3,(H,12,15)/t8-,9-,10+/m0/s1
InChIKeyKUXLSSYUCAVVOL-LPEHRKFASA-N
XLogP1.12
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1S,2S,6R)-6-azido-2-(methoxymethoxy)cyclohex-3-en-1-yl] methanesulfonate
CID 53375307
methyl (3R,4R,5S)-4-acetamido-5-azido-3-methoxycyclohexene-1-carboxylate
CID 15283982
ethyl (3R,4R,5S)-4-acetamido-3-acetyloxy-5-azidocyclohexene-1-carboxylate
CID 101056300
ethyl 4-acetamido-5-azido-3-pentan-3-yloxycyclohexene-1-carboxylate
CID 53423532
N-(6-azido-4-diethoxyphosphoryl-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide
CID 140549641
methyl (2S,4R,5R)-5-acetamido-4-azido-2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
CID 134973404
methyl 4-acetamido-3-azido-5-(2,3-dihydroxypropoxy)cyclohexene-1-carboxylate
CID 20651740
N-[(1R,2R,6S)-6-azido-4-diethoxyphosphoryl-2-hydroxycyclohex-3-en-1-yl]acetamide
CID 86641300
3-azido-4-(methoxymethoxy)piperidine-1-carboxylic acid
CID 118326461
tert-butyl (3R,4R)-3-azido-4-(methoxymethoxy)piperidine-1-carboxylate
CID 118329695
ethyl (3R,4R,5S)-4-acetamido-5-azido-3-[(3R)-1-oxopentan-3-yl]oxycyclohexene-1-carboxylate
CID 100939440
N-[6-azido-8-(cyclohexa-2,4-dien-1-ylmethoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 171035568

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,6S)-6-azido-2-(methoxymethoxy)cyclohex-3-en-1-yl]acetamide?
The IUPAC name of N-[(1R,2S,6S)-6-azido-2-(methoxymethoxy)cyclohex-3-en-1-yl]acetamide (CID 53375308) is N-[(1R,2S,6S)-6-azido-2-(methoxymethoxy)cyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2S,6S)-6-azido-2-(methoxymethoxy)cyclohex-3-en-1-yl]acetamide?
The canonical SMILES for N-[(1R,2S,6S)-6-azido-2-(methoxymethoxy)cyclohex-3-en-1-yl]acetamide is COCO[C@H]1C=CC[C@H](N=[N+]=[N-])[C@H]1NC(C)=O.
What is the InChIKey of N-[(1R,2S,6S)-6-azido-2-(methoxymethoxy)cyclohex-3-en-1-yl]acetamide?
The InChIKey is KUXLSSYUCAVVOL-LPEHRKFASA-N. The full InChI is InChI=1S/C10H16N4O3/c1-7(15)12-10-8(13-14-11)4-3-5-9(10)17-6-16-2/h3,5,8-10H,4,6H2,1-2H3,(H,12,15)/t8-,9-,10+/m0/s1.
What are the key properties of N-[(1R,2S,6S)-6-azido-2-(methoxymethoxy)cyclohex-3-en-1-yl]acetamide?
N-[(1R,2S,6S)-6-azido-2-(methoxymethoxy)cyclohex-3-en-1-yl]acetamide has a molecular weight of 240.26 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,6S)-6-azido-2-(methoxymethoxy)cyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 53375308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).