[(Z)-hex-3-enyl] N-methyl-N-propan-2-ylcarbamate

C11H21NO2 — CID 58758134

IUPAC[(Z)-hex-3-enyl] N-methyl-N-propan-2-ylcarbamate
SMILESCC/C=C\CCOC(=O)N(C)C(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-7-8-9-14-11(13)12(4)10(2)3/h6-7,10H,5,8-9H2,1-4H3/b7-6-
InChIKeyKAWLESVZHGHQQS-SREVYHEPSA-N
MW199.29 g/mol
LogP2.82
Rot. Bonds5

About [(Z)-hex-3-enyl] N-methyl-N-propan-2-ylcarbamate

[(Z)-hex-3-enyl] N-methyl-N-propan-2-ylcarbamate (PubChem CID 58758134) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is [(Z)-hex-3-enyl] N-methyl-N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(Z)-hex-3-enyl] N-methyl-N-propan-2-ylcarbamate
PubChem CID58758134
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name[(Z)-hex-3-enyl] N-methyl-N-propan-2-ylcarbamate
SMILESCC/C=C\CCOC(=O)N(C)C(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-7-8-9-14-11(13)12(4)10(2)3/h6-7,10H,5,8-9H2,1-4H3/b7-6-
InChIKeyKAWLESVZHGHQQS-SREVYHEPSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-hex-3-enyl] N-methyl-N-propan-2-ylcarbamate?
The IUPAC name of [(Z)-hex-3-enyl] N-methyl-N-propan-2-ylcarbamate (CID 58758134) is [(Z)-hex-3-enyl] N-methyl-N-propan-2-ylcarbamate.
What is the SMILES notation for [(Z)-hex-3-enyl] N-methyl-N-propan-2-ylcarbamate?
The canonical SMILES for [(Z)-hex-3-enyl] N-methyl-N-propan-2-ylcarbamate is CC/C=C\CCOC(=O)N(C)C(C)C.
What is the InChIKey of [(Z)-hex-3-enyl] N-methyl-N-propan-2-ylcarbamate?
The InChIKey is KAWLESVZHGHQQS-SREVYHEPSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-6-7-8-9-14-11(13)12(4)10(2)3/h6-7,10H,5,8-9H2,1-4H3/b7-6-.
What are the key properties of [(Z)-hex-3-enyl] N-methyl-N-propan-2-ylcarbamate?
[(Z)-hex-3-enyl] N-methyl-N-propan-2-ylcarbamate has a molecular weight of 199.29 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-3-enyl] N-methyl-N-propan-2-ylcarbamate is sourced from PubChem (CID 58758134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).