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

C14H21N3O3 — CID 140842138

IUPACtert-butyl N-(6-hydroxy-3-imidazol-1-ylcyclohex-2-en-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1C=C(n2ccnc2)CCC1O
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)16-11-8-10(4-5-12(11)18)17-7-6-15-9-17/h6-9,11-12,18H,4-5H2,1-3H3,(H,16,19)
InChIKeyCRSGMLRUNPXXCE-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.77
Rot. Bonds2

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

tert-butyl N-(6-hydroxy-3-imidazol-1-ylcyclohex-2-en-1-yl)carbamate (PubChem CID 140842138) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl N-(6-hydroxy-3-imidazol-1-ylcyclohex-2-en-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-hydroxy-3-imidazol-1-ylcyclohex-2-en-1-yl)carbamate
PubChem CID140842138
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nametert-butyl N-(6-hydroxy-3-imidazol-1-ylcyclohex-2-en-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1C=C(n2ccnc2)CCC1O
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)16-11-8-10(4-5-12(11)18)17-7-6-15-9-17/h6-9,11-12,18H,4-5H2,1-3H3,(H,16,19)
InChIKeyCRSGMLRUNPXXCE-UHFFFAOYSA-N
XLogP1.77
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-Amino-4-imidazol-1-ylcyclohex-3-en-1-ol
CID 117762194
(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
(6-Hydroxy-3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamic acid
CID 117764371
tert-butyl N-(6-hydroxy-3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate
CID 140842130
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
tert-butyl N-[2-hydroxy-1-[3-[(E)-pent-3-enyl]imidazol-4-yl]ethyl]carbamate
CID 114707538
tert-butyl N-[1-(3-cyclopent-3-en-1-ylimidazol-4-yl)-2-hydroxyethyl]carbamate
CID 114707646

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-hydroxy-3-imidazol-1-ylcyclohex-2-en-1-yl)carbamate?
The IUPAC name of tert-butyl N-(6-hydroxy-3-imidazol-1-ylcyclohex-2-en-1-yl)carbamate (CID 140842138) is tert-butyl N-(6-hydroxy-3-imidazol-1-ylcyclohex-2-en-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-hydroxy-3-imidazol-1-ylcyclohex-2-en-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-hydroxy-3-imidazol-1-ylcyclohex-2-en-1-yl)carbamate is CC(C)(C)OC(=O)NC1C=C(n2ccnc2)CCC1O.
What is the InChIKey of tert-butyl N-(6-hydroxy-3-imidazol-1-ylcyclohex-2-en-1-yl)carbamate?
The InChIKey is CRSGMLRUNPXXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)16-11-8-10(4-5-12(11)18)17-7-6-15-9-17/h6-9,11-12,18H,4-5H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl N-(6-hydroxy-3-imidazol-1-ylcyclohex-2-en-1-yl)carbamate?
tert-butyl N-(6-hydroxy-3-imidazol-1-ylcyclohex-2-en-1-yl)carbamate has a molecular weight of 279.34 g/mol, XLogP of 1.77, 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-ylcyclohex-2-en-1-yl)carbamate is sourced from PubChem (CID 140842138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).