N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide

C13H22N2O — CID 143529170

IUPACN-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide
SMILESC=C/N=C/C(=C\C)CCNC(=O)C(C)(C)C
InChIInChI=1S/C13H22N2O/c1-6-11(10-14-7-2)8-9-15-12(16)13(3,4)5/h6-7,10H,2,8-9H2,1,3-5H3,(H,15,16)/b11-6-,14-10+
InChIKeyRILBDRCUEMUGID-HNPFEXMKSA-N
MW222.33 g/mol
LogP2.70
Rot. Bonds5

About N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide

N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide (PubChem CID 143529170) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide
PubChem CID143529170
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide
SMILESC=C/N=C/C(=C\C)CCNC(=O)C(C)(C)C
InChIInChI=1S/C13H22N2O/c1-6-11(10-14-7-2)8-9-15-12(16)13(3,4)5/h6-7,10H,2,8-9H2,1,3-5H3,(H,15,16)/b11-6-,14-10+
InChIKeyRILBDRCUEMUGID-HNPFEXMKSA-N
XLogP2.70
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide (CID 143529170) is N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide is C=C/N=C/C(=C\C)CCNC(=O)C(C)(C)C.
What is the InChIKey of N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide?
The InChIKey is RILBDRCUEMUGID-HNPFEXMKSA-N. The full InChI is InChI=1S/C13H22N2O/c1-6-11(10-14-7-2)8-9-15-12(16)13(3,4)5/h6-7,10H,2,8-9H2,1,3-5H3,(H,15,16)/b11-6-,14-10+.
What are the key properties of N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide?
N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide has a molecular weight of 222.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 143529170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).