N-(2-cyanopropan-2-yl)-2-ethenylpenta-2,4-dienamide

C11H14N2O — CID 123602474

IUPACN-(2-cyanopropan-2-yl)-2-ethenylpenta-2,4-dienamide
SMILESC=CC=C(C=C)C(=O)NC(C)(C)C#N
InChIInChI=1S/C11H14N2O/c1-5-7-9(6-2)10(14)13-11(3,4)8-12/h5-7H,1-2H2,3-4H3,(H,13,14)
InChIKeyKVOGXVATANYBCY-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.70
Rot. Bonds4

About N-(2-cyanopropan-2-yl)-2-ethenylpenta-2,4-dienamide

N-(2-cyanopropan-2-yl)-2-ethenylpenta-2,4-dienamide (PubChem CID 123602474) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-2-ethenylpenta-2,4-dienamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-2-ethenylpenta-2,4-dienamide
PubChem CID123602474
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN-(2-cyanopropan-2-yl)-2-ethenylpenta-2,4-dienamide
SMILESC=CC=C(C=C)C(=O)NC(C)(C)C#N
InChIInChI=1S/C11H14N2O/c1-5-7-9(6-2)10(14)13-11(3,4)8-12/h5-7H,1-2H2,3-4H3,(H,13,14)
InChIKeyKVOGXVATANYBCY-UHFFFAOYSA-N
XLogP1.70
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

CID 44386608
CID 44386608
CID 88236396
CID 88236396
CID 90290328
CID 90290328
CID 118145402
CID 118145402
CID 129252446
CID 129252446
CID 137383975
CID 137383975
CID 139476336
CID 139476336
CID 140554443
CID 140554443
CID 140554470
CID 140554470
CID 141292949
CID 141292949
CID 141293117
CID 141293117
CID 141923425
CID 141923425

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-2-ethenylpenta-2,4-dienamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-2-ethenylpenta-2,4-dienamide (CID 123602474) is N-(2-cyanopropan-2-yl)-2-ethenylpenta-2,4-dienamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-2-ethenylpenta-2,4-dienamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-2-ethenylpenta-2,4-dienamide is C=CC=C(C=C)C(=O)NC(C)(C)C#N.
What is the InChIKey of N-(2-cyanopropan-2-yl)-2-ethenylpenta-2,4-dienamide?
The InChIKey is KVOGXVATANYBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-5-7-9(6-2)10(14)13-11(3,4)8-12/h5-7H,1-2H2,3-4H3,(H,13,14).
What are the key properties of N-(2-cyanopropan-2-yl)-2-ethenylpenta-2,4-dienamide?
N-(2-cyanopropan-2-yl)-2-ethenylpenta-2,4-dienamide has a molecular weight of 190.25 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-2-ethenylpenta-2,4-dienamide is sourced from PubChem (CID 123602474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).