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

C10H17NO2 — CID 118066650

IUPACmethyl N-(1-cyclopropyl-2-methylbut-2-enyl)carbamate
SMILESCC=C(C)C(NC(=O)OC)C1CC1
InChIInChI=1S/C10H17NO2/c1-4-7(2)9(8-5-6-8)11-10(12)13-3/h4,8-9H,5-6H2,1-3H3,(H,11,12)
InChIKeyNGXDJKLAYDMNHB-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.09
Rot. Bonds3

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

methyl N-(1-cyclopropyl-2-methylbut-2-enyl)carbamate (PubChem CID 118066650) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl N-(1-cyclopropyl-2-methylbut-2-enyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-cyclopropyl-2-methylbut-2-enyl)carbamate
PubChem CID118066650
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl N-(1-cyclopropyl-2-methylbut-2-enyl)carbamate
SMILESCC=C(C)C(NC(=O)OC)C1CC1
InChIInChI=1S/C10H17NO2/c1-4-7(2)9(8-5-6-8)11-10(12)13-3/h4,8-9H,5-6H2,1-3H3,(H,11,12)
InChIKeyNGXDJKLAYDMNHB-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methylbut-2-enyl)carbamate?
The IUPAC name of methyl N-(1-cyclopropyl-2-methylbut-2-enyl)carbamate (CID 118066650) is methyl N-(1-cyclopropyl-2-methylbut-2-enyl)carbamate.
What is the SMILES notation for methyl N-(1-cyclopropyl-2-methylbut-2-enyl)carbamate?
The canonical SMILES for methyl N-(1-cyclopropyl-2-methylbut-2-enyl)carbamate is CC=C(C)C(NC(=O)OC)C1CC1.
What is the InChIKey of methyl N-(1-cyclopropyl-2-methylbut-2-enyl)carbamate?
The InChIKey is NGXDJKLAYDMNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-7(2)9(8-5-6-8)11-10(12)13-3/h4,8-9H,5-6H2,1-3H3,(H,11,12).
What are the key properties of methyl N-(1-cyclopropyl-2-methylbut-2-enyl)carbamate?
methyl N-(1-cyclopropyl-2-methylbut-2-enyl)carbamate has a molecular weight of 183.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-cyclopropyl-2-methylbut-2-enyl)carbamate is sourced from PubChem (CID 118066650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).