methyl N-(1-cyclopropyl-2-methoxy-3-methylbut-3-enyl)carbamate

C11H19NO3 — CID 163528856

IUPACmethyl N-(1-cyclopropyl-2-methoxy-3-methylbut-3-enyl)carbamate
SMILESC=C(C)C(OC)C(NC(=O)OC)C1CC1
InChIInChI=1S/C11H19NO3/c1-7(2)10(14-3)9(8-5-6-8)12-11(13)15-4/h8-10H,1,5-6H2,2-4H3,(H,12,13)
InChIKeyDRECRXLKBCANCI-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.71
Rot. Bonds5

About methyl N-(1-cyclopropyl-2-methoxy-3-methylbut-3-enyl)carbamate

methyl N-(1-cyclopropyl-2-methoxy-3-methylbut-3-enyl)carbamate (PubChem CID 163528856) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl N-(1-cyclopropyl-2-methoxy-3-methylbut-3-enyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-cyclopropyl-2-methoxy-3-methylbut-3-enyl)carbamate
PubChem CID163528856
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl N-(1-cyclopropyl-2-methoxy-3-methylbut-3-enyl)carbamate
SMILESC=C(C)C(OC)C(NC(=O)OC)C1CC1
InChIInChI=1S/C11H19NO3/c1-7(2)10(14-3)9(8-5-6-8)12-11(13)15-4/h8-10H,1,5-6H2,2-4H3,(H,12,13)
InChIKeyDRECRXLKBCANCI-UHFFFAOYSA-N
XLogP1.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.71
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 methyl N-(1-cyclopropyl-2-methoxy-3-methylbut-3-enyl)carbamate?
The IUPAC name of methyl N-(1-cyclopropyl-2-methoxy-3-methylbut-3-enyl)carbamate (CID 163528856) is methyl N-(1-cyclopropyl-2-methoxy-3-methylbut-3-enyl)carbamate.
What is the SMILES notation for methyl N-(1-cyclopropyl-2-methoxy-3-methylbut-3-enyl)carbamate?
The canonical SMILES for methyl N-(1-cyclopropyl-2-methoxy-3-methylbut-3-enyl)carbamate is C=C(C)C(OC)C(NC(=O)OC)C1CC1.
What is the InChIKey of methyl N-(1-cyclopropyl-2-methoxy-3-methylbut-3-enyl)carbamate?
The InChIKey is DRECRXLKBCANCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7(2)10(14-3)9(8-5-6-8)12-11(13)15-4/h8-10H,1,5-6H2,2-4H3,(H,12,13).
What are the key properties of methyl N-(1-cyclopropyl-2-methoxy-3-methylbut-3-enyl)carbamate?
methyl N-(1-cyclopropyl-2-methoxy-3-methylbut-3-enyl)carbamate has a molecular weight of 213.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-cyclopropyl-2-methoxy-3-methylbut-3-enyl)carbamate is sourced from PubChem (CID 163528856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).