tert-butyl N-(6-hydroxy-3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate

C15H23N3O3 — CID 140842130

IUPACtert-butyl N-(6-hydroxy-3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1C=C(n2ccnc2)CCC1(C)O
InChIInChI=1S/C15H23N3O3/c1-14(2,3)21-13(19)17-12-9-11(5-6-15(12,4)20)18-8-7-16-10-18/h7-10,12,20H,5-6H2,1-4H3,(H,17,19)
InChIKeyZDIKZGGYEPCMLT-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.16
Rot. Bonds2

About tert-butyl N-(6-hydroxy-3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate

tert-butyl N-(6-hydroxy-3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate (PubChem CID 140842130) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl N-(6-hydroxy-3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-hydroxy-3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate
PubChem CID140842130
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl N-(6-hydroxy-3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1C=C(n2ccnc2)CCC1(C)O
InChIInChI=1S/C15H23N3O3/c1-14(2,3)21-13(19)17-12-9-11(5-6-15(12,4)20)18-8-7-16-10-18/h7-10,12,20H,5-6H2,1-4H3,(H,17,19)
InChIKeyZDIKZGGYEPCMLT-UHFFFAOYSA-N
XLogP2.16
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamic acid
CID 117761747
(3-Imidazol-1-ylcyclohex-2-en-1-yl)carbamic acid
CID 117762490
(6-Hydroxy-3-imidazol-1-ylcyclohex-2-en-1-yl)carbamic acid
CID 117762848
2-Amino-4-imidazol-1-yl-1-methylcyclohex-3-en-1-ol;hydrochloride
CID 117763572
2-Amino-4-imidazol-1-yl-1-methylcyclohex-3-en-1-ol
CID 117763573
(6-Hydroxy-3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamic acid
CID 117764371
tert-butyl N-(6-hydroxy-3-imidazol-1-ylcyclohex-2-en-1-yl)carbamate
CID 140842138
tert-butyl N-(3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate
CID 140842146
3-imidazol-1-yl-6-methoxy-N,6-dimethylcyclohex-2-en-1-amine
CID 141424906

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-hydroxy-3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate?
The IUPAC name of tert-butyl N-(6-hydroxy-3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate (CID 140842130) is tert-butyl N-(6-hydroxy-3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-hydroxy-3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-hydroxy-3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate is CC(C)(C)OC(=O)NC1C=C(n2ccnc2)CCC1(C)O.
What is the InChIKey of tert-butyl N-(6-hydroxy-3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate?
The InChIKey is ZDIKZGGYEPCMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-14(2,3)21-13(19)17-12-9-11(5-6-15(12,4)20)18-8-7-16-10-18/h7-10,12,20H,5-6H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-(6-hydroxy-3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate?
tert-butyl N-(6-hydroxy-3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate has a molecular weight of 293.37 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-hydroxy-3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate is sourced from PubChem (CID 140842130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).