2,2-dichloroethyl N-cyclohex-2-en-1-ylcarbamate

C9H13Cl2NO2 — CID 86086396

IUPAC2,2-dichloroethyl N-cyclohex-2-en-1-ylcarbamate
SMILESO=C(NC1C=CCCC1)OCC(Cl)Cl
InChIInChI=1S/C9H13Cl2NO2/c10-8(11)6-14-9(13)12-7-4-2-1-3-5-7/h2,4,7-8H,1,3,5-6H2,(H,12,13)
InChIKeyRUEUFBSYDIBLHM-UHFFFAOYSA-N
MW238.11 g/mol
LogP2.62
Rot. Bonds3

About 2,2-dichloroethyl N-cyclohex-2-en-1-ylcarbamate

2,2-dichloroethyl N-cyclohex-2-en-1-ylcarbamate (PubChem CID 86086396) has the molecular formula C9H13Cl2NO2 and a molecular weight of 238.11 g/mol. Its IUPAC name is 2,2-dichloroethyl N-cyclohex-2-en-1-ylcarbamate.

Molecular Properties

Compound Name2,2-dichloroethyl N-cyclohex-2-en-1-ylcarbamate
PubChem CID86086396
Molecular FormulaC9H13Cl2NO2
Molecular Weight238.11 g/mol
Exact Mass237.03
IUPAC Name2,2-dichloroethyl N-cyclohex-2-en-1-ylcarbamate
SMILESO=C(NC1C=CCCC1)OCC(Cl)Cl
InChIInChI=1S/C9H13Cl2NO2/c10-8(11)6-14-9(13)12-7-4-2-1-3-5-7/h2,4,7-8H,1,3,5-6H2,(H,12,13)
InChIKeyRUEUFBSYDIBLHM-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.11
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(1S)-cyclohex-2-en-1-yl]carbamate
CID 129365778
(2R)-2-amino-N-cyclohex-2-en-1-ylpropanamide;hydrochloride
CID 130677946
2,2,2-trichloro-N-[(1R)-cyclohept-2-en-1-yl]acetamide
CID 158442389
5-(cyclohex-2-en-1-ylamino)pentanamide
CID 106237404
1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methoxy-2-methylpropyl)urea
CID 97076034
2-[2-(cyclohex-2-en-1-ylamino)ethoxy]acetamide
CID 106238210
2-(cyclohex-2-en-1-ylamino)propane-1,3-diol
CID 107907132
1-cyclohept-2-en-1-yl-3-methylurea
CID 101061254
N-[(1R)-cyclohex-2-en-1-yl]-2-(3,3-difluorocyclobutyl)acetamide
CID 129349301
2-(cyclohex-2-en-1-ylamino)-3-methylbutanamide
CID 103914307
3-(cyclohex-2-en-1-ylamino)propanoic acid
CID 114620369
(2S)-N-[(1R)-cyclohex-2-en-1-yl]-2-methoxy-2-phenylacetamide
CID 10060436

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloroethyl N-cyclohex-2-en-1-ylcarbamate?
The IUPAC name of 2,2-dichloroethyl N-cyclohex-2-en-1-ylcarbamate (CID 86086396) is 2,2-dichloroethyl N-cyclohex-2-en-1-ylcarbamate.
What is the SMILES notation for 2,2-dichloroethyl N-cyclohex-2-en-1-ylcarbamate?
The canonical SMILES for 2,2-dichloroethyl N-cyclohex-2-en-1-ylcarbamate is O=C(NC1C=CCCC1)OCC(Cl)Cl.
What is the InChIKey of 2,2-dichloroethyl N-cyclohex-2-en-1-ylcarbamate?
The InChIKey is RUEUFBSYDIBLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2NO2/c10-8(11)6-14-9(13)12-7-4-2-1-3-5-7/h2,4,7-8H,1,3,5-6H2,(H,12,13).
What are the key properties of 2,2-dichloroethyl N-cyclohex-2-en-1-ylcarbamate?
2,2-dichloroethyl N-cyclohex-2-en-1-ylcarbamate has a molecular weight of 238.11 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloroethyl N-cyclohex-2-en-1-ylcarbamate is sourced from PubChem (CID 86086396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).