tert-butyl N-[1-(1-hydroxycyclohexyl)prop-2-enyl]carbamate

C14H25NO3 — CID 10912121

IUPACtert-butyl N-[1-(1-hydroxycyclohexyl)prop-2-enyl]carbamate
SMILESC=CC(NC(=O)OC(C)(C)C)C1(O)CCCCC1
InChIInChI=1S/C14H25NO3/c1-5-11(14(17)9-7-6-8-10-14)15-12(16)18-13(2,3)4/h5,11,17H,1,6-10H2,2-4H3,(H,15,16)
InChIKeyJWSHKTDSKHJXMC-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.76
Rot. Bonds3

About tert-butyl N-[1-(1-hydroxycyclohexyl)prop-2-enyl]carbamate

tert-butyl N-[1-(1-hydroxycyclohexyl)prop-2-enyl]carbamate (PubChem CID 10912121) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-[1-(1-hydroxycyclohexyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1-hydroxycyclohexyl)prop-2-enyl]carbamate
PubChem CID10912121
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-[1-(1-hydroxycyclohexyl)prop-2-enyl]carbamate
SMILESC=CC(NC(=O)OC(C)(C)C)C1(O)CCCCC1
InChIInChI=1S/C14H25NO3/c1-5-11(14(17)9-7-6-8-10-14)15-12(16)18-13(2,3)4/h5,11,17H,1,6-10H2,2-4H3,(H,15,16)
InChIKeyJWSHKTDSKHJXMC-UHFFFAOYSA-N
XLogP2.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1-hydroxycyclohexyl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[1-(1-hydroxycyclohexyl)prop-2-enyl]carbamate (CID 10912121) is tert-butyl N-[1-(1-hydroxycyclohexyl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1-hydroxycyclohexyl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1-hydroxycyclohexyl)prop-2-enyl]carbamate is C=CC(NC(=O)OC(C)(C)C)C1(O)CCCCC1.
What is the InChIKey of tert-butyl N-[1-(1-hydroxycyclohexyl)prop-2-enyl]carbamate?
The InChIKey is JWSHKTDSKHJXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-11(14(17)9-7-6-8-10-14)15-12(16)18-13(2,3)4/h5,11,17H,1,6-10H2,2-4H3,(H,15,16).
What are the key properties of tert-butyl N-[1-(1-hydroxycyclohexyl)prop-2-enyl]carbamate?
tert-butyl N-[1-(1-hydroxycyclohexyl)prop-2-enyl]carbamate has a molecular weight of 255.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1-hydroxycyclohexyl)prop-2-enyl]carbamate is sourced from PubChem (CID 10912121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).