methyl N-(4-methoxy-2-methylpent-1-en-3-yl)carbamate

C9H17NO3 — CID 88873537

IUPACmethyl N-(4-methoxy-2-methylpent-1-en-3-yl)carbamate
SMILESC=C(C)C(NC(=O)OC)C(C)OC
InChIInChI=1S/C9H17NO3/c1-6(2)8(7(3)12-4)10-9(11)13-5/h7-8H,1H2,2-5H3,(H,10,11)
InChIKeyHDDUUPHDELNWHS-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.32
Rot. Bonds4

About methyl N-(4-methoxy-2-methylpent-1-en-3-yl)carbamate

methyl N-(4-methoxy-2-methylpent-1-en-3-yl)carbamate (PubChem CID 88873537) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl N-(4-methoxy-2-methylpent-1-en-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-methoxy-2-methylpent-1-en-3-yl)carbamate
PubChem CID88873537
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl N-(4-methoxy-2-methylpent-1-en-3-yl)carbamate
SMILESC=C(C)C(NC(=O)OC)C(C)OC
InChIInChI=1S/C9H17NO3/c1-6(2)8(7(3)12-4)10-9(11)13-5/h7-8H,1H2,2-5H3,(H,10,11)
InChIKeyHDDUUPHDELNWHS-UHFFFAOYSA-N
XLogP1.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.32
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-(4-methoxy-2-methylpent-1-en-3-yl)carbamate?
The IUPAC name of methyl N-(4-methoxy-2-methylpent-1-en-3-yl)carbamate (CID 88873537) is methyl N-(4-methoxy-2-methylpent-1-en-3-yl)carbamate.
What is the SMILES notation for methyl N-(4-methoxy-2-methylpent-1-en-3-yl)carbamate?
The canonical SMILES for methyl N-(4-methoxy-2-methylpent-1-en-3-yl)carbamate is C=C(C)C(NC(=O)OC)C(C)OC.
What is the InChIKey of methyl N-(4-methoxy-2-methylpent-1-en-3-yl)carbamate?
The InChIKey is HDDUUPHDELNWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(2)8(7(3)12-4)10-9(11)13-5/h7-8H,1H2,2-5H3,(H,10,11).
What are the key properties of methyl N-(4-methoxy-2-methylpent-1-en-3-yl)carbamate?
methyl N-(4-methoxy-2-methylpent-1-en-3-yl)carbamate has a molecular weight of 187.24 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-methoxy-2-methylpent-1-en-3-yl)carbamate is sourced from PubChem (CID 88873537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).