tert-butyl N-[(3R,4R)-4-(2-methylprop-2-enoxy)pent-1-en-3-yl]carbamate

C14H25NO3 — CID 11608554

IUPACtert-butyl N-[(3R,4R)-4-(2-methylprop-2-enoxy)pent-1-en-3-yl]carbamate
SMILESC=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCC(=C)C
InChIInChI=1S/C14H25NO3/c1-8-12(11(4)17-9-10(2)3)15-13(16)18-14(5,6)7/h8,11-12H,1-2,9H2,3-7H3,(H,15,16)/t11-,12-/m1/s1
InChIKeyLXISFOJEYMOXMI-VXGBXAGGSA-N
MW255.36 g/mol
LogP3.05
Rot. Bonds6

About tert-butyl N-[(3R,4R)-4-(2-methylprop-2-enoxy)pent-1-en-3-yl]carbamate

tert-butyl N-[(3R,4R)-4-(2-methylprop-2-enoxy)pent-1-en-3-yl]carbamate (PubChem CID 11608554) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-[(3R,4R)-4-(2-methylprop-2-enoxy)pent-1-en-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4R)-4-(2-methylprop-2-enoxy)pent-1-en-3-yl]carbamate
PubChem CID11608554
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-[(3R,4R)-4-(2-methylprop-2-enoxy)pent-1-en-3-yl]carbamate
SMILESC=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCC(=C)C
InChIInChI=1S/C14H25NO3/c1-8-12(11(4)17-9-10(2)3)15-13(16)18-14(5,6)7/h8,11-12H,1-2,9H2,3-7H3,(H,15,16)/t11-,12-/m1/s1
InChIKeyLXISFOJEYMOXMI-VXGBXAGGSA-N
XLogP3.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
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-[(3R,4R)-4-(2-methylprop-2-enoxy)pent-1-en-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4R)-4-(2-methylprop-2-enoxy)pent-1-en-3-yl]carbamate (CID 11608554) is tert-butyl N-[(3R,4R)-4-(2-methylprop-2-enoxy)pent-1-en-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4R)-4-(2-methylprop-2-enoxy)pent-1-en-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4R)-4-(2-methylprop-2-enoxy)pent-1-en-3-yl]carbamate is C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCC(=C)C.
What is the InChIKey of tert-butyl N-[(3R,4R)-4-(2-methylprop-2-enoxy)pent-1-en-3-yl]carbamate?
The InChIKey is LXISFOJEYMOXMI-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H25NO3/c1-8-12(11(4)17-9-10(2)3)15-13(16)18-14(5,6)7/h8,11-12H,1-2,9H2,3-7H3,(H,15,16)/t11-,12-/m1/s1.
What are the key properties of tert-butyl N-[(3R,4R)-4-(2-methylprop-2-enoxy)pent-1-en-3-yl]carbamate?
tert-butyl N-[(3R,4R)-4-(2-methylprop-2-enoxy)pent-1-en-3-yl]carbamate has a molecular weight of 255.36 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4R)-4-(2-methylprop-2-enoxy)pent-1-en-3-yl]carbamate is sourced from PubChem (CID 11608554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).