(8-acetamidocyclooct-2-en-1-yl) hydrogen carbonate

C11H17NO4 — CID 123296457

IUPAC(8-acetamidocyclooct-2-en-1-yl) hydrogen carbonate
SMILESCC(=O)NC1CCCCC=CC1OC(=O)O
InChIInChI=1S/C11H17NO4/c1-8(13)12-9-6-4-2-3-5-7-10(9)16-11(14)15/h5,7,9-10H,2-4,6H2,1H3,(H,12,13)(H,14,15)
InChIKeyZPMPSZXREILETP-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.68
Rot. Bonds2

About (8-acetamidocyclooct-2-en-1-yl) hydrogen carbonate

(8-acetamidocyclooct-2-en-1-yl) hydrogen carbonate (PubChem CID 123296457) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is (8-acetamidocyclooct-2-en-1-yl) hydrogen carbonate.

Molecular Properties

Compound Name(8-acetamidocyclooct-2-en-1-yl) hydrogen carbonate
PubChem CID123296457
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name(8-acetamidocyclooct-2-en-1-yl) hydrogen carbonate
SMILESCC(=O)NC1CCCCC=CC1OC(=O)O
InChIInChI=1S/C11H17NO4/c1-8(13)12-9-6-4-2-3-5-7-10(9)16-11(14)15/h5,7,9-10H,2-4,6H2,1H3,(H,12,13)(H,14,15)
InChIKeyZPMPSZXREILETP-UHFFFAOYSA-N
XLogP1.68
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[hydroxy-[8-(propanoylamino)cyclooct-2-en-1-yl]oxymethyl]oxidanium
CID 163453476
[(2E)-8-methylcyclooct-2-en-1-yl] acetate
CID 159103280
(2-aminocyclooct-3-en-1-yl)carbamic acid
CID 147865429
N-[(1R,2S)-2-hydroxycyclopentyl]acetamide
CID 14988808
N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride
CID 172759321
N-[(1S,2S)-2-hydroxycycloheptyl]acetamide
CID 101001127
[(1R)-cyclohept-2-en-1-yl] acetate
CID 12858459
N-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide
CID 21439703
N-[(1R,2S,3S)-2,3-dihydroxycyclohexyl]acetamide
CID 101197936
tert-butyl N-[(1R,3E)-2-aminocyclooct-3-en-1-yl]carbamate
CID 118458947
cyclohept-2-en-1-yl ethyl carbonate
CID 15310932
S-propan-2-yl N-[(3E)-2-hydroxycyclooct-3-en-1-yl]carbamothioate
CID 155458445

Frequently Asked Questions

What is the IUPAC name of (8-acetamidocyclooct-2-en-1-yl) hydrogen carbonate?
The IUPAC name of (8-acetamidocyclooct-2-en-1-yl) hydrogen carbonate (CID 123296457) is (8-acetamidocyclooct-2-en-1-yl) hydrogen carbonate.
What is the SMILES notation for (8-acetamidocyclooct-2-en-1-yl) hydrogen carbonate?
The canonical SMILES for (8-acetamidocyclooct-2-en-1-yl) hydrogen carbonate is CC(=O)NC1CCCCC=CC1OC(=O)O.
What is the InChIKey of (8-acetamidocyclooct-2-en-1-yl) hydrogen carbonate?
The InChIKey is ZPMPSZXREILETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-8(13)12-9-6-4-2-3-5-7-10(9)16-11(14)15/h5,7,9-10H,2-4,6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of (8-acetamidocyclooct-2-en-1-yl) hydrogen carbonate?
(8-acetamidocyclooct-2-en-1-yl) hydrogen carbonate has a molecular weight of 227.26 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-acetamidocyclooct-2-en-1-yl) hydrogen carbonate is sourced from PubChem (CID 123296457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).