prop-2-enyl N-[3-(dimethylamino)prop-2-enyl]carbamate

C9H16N2O2 — CID 87704432

IUPACprop-2-enyl N-[3-(dimethylamino)prop-2-enyl]carbamate
SMILESC=CCOC(=O)NCC=CN(C)C
InChIInChI=1S/C9H16N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-5,7H,1,6,8H2,2-3H3,(H,10,12)
InChIKeyCRDMVSQPMJRQSL-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.97
Rot. Bonds5

About prop-2-enyl N-[3-(dimethylamino)prop-2-enyl]carbamate

prop-2-enyl N-[3-(dimethylamino)prop-2-enyl]carbamate (PubChem CID 87704432) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is prop-2-enyl N-[3-(dimethylamino)prop-2-enyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[3-(dimethylamino)prop-2-enyl]carbamate
PubChem CID87704432
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Nameprop-2-enyl N-[3-(dimethylamino)prop-2-enyl]carbamate
SMILESC=CCOC(=O)NCC=CN(C)C
InChIInChI=1S/C9H16N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-5,7H,1,6,8H2,2-3H3,(H,10,12)
InChIKeyCRDMVSQPMJRQSL-UHFFFAOYSA-N
XLogP0.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.97
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 prop-2-enyl N-[3-(dimethylamino)prop-2-enyl]carbamate?
The IUPAC name of prop-2-enyl N-[3-(dimethylamino)prop-2-enyl]carbamate (CID 87704432) is prop-2-enyl N-[3-(dimethylamino)prop-2-enyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[3-(dimethylamino)prop-2-enyl]carbamate?
The canonical SMILES for prop-2-enyl N-[3-(dimethylamino)prop-2-enyl]carbamate is C=CCOC(=O)NCC=CN(C)C.
What is the InChIKey of prop-2-enyl N-[3-(dimethylamino)prop-2-enyl]carbamate?
The InChIKey is CRDMVSQPMJRQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-5,7H,1,6,8H2,2-3H3,(H,10,12).
What are the key properties of prop-2-enyl N-[3-(dimethylamino)prop-2-enyl]carbamate?
prop-2-enyl N-[3-(dimethylamino)prop-2-enyl]carbamate has a molecular weight of 184.24 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[3-(dimethylamino)prop-2-enyl]carbamate is sourced from PubChem (CID 87704432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).