N-(4-ethenylhexa-1,3,5-trien-3-yl)prop-2-enamide

C11H13NO — CID 162528154

IUPACN-(4-ethenylhexa-1,3,5-trien-3-yl)prop-2-enamide
SMILESC=CC(=O)NC(C=C)=C(C=C)C=C
InChIInChI=1S/C11H13NO/c1-5-9(6-2)10(7-3)12-11(13)8-4/h5-8H,1-4H2,(H,12,13)
InChIKeyQMYZEYPERNTSKE-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.10
Rot. Bonds5

About N-(4-ethenylhexa-1,3,5-trien-3-yl)prop-2-enamide

N-(4-ethenylhexa-1,3,5-trien-3-yl)prop-2-enamide (PubChem CID 162528154) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is N-(4-ethenylhexa-1,3,5-trien-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-ethenylhexa-1,3,5-trien-3-yl)prop-2-enamide
PubChem CID162528154
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC NameN-(4-ethenylhexa-1,3,5-trien-3-yl)prop-2-enamide
SMILESC=CC(=O)NC(C=C)=C(C=C)C=C
InChIInChI=1S/C11H13NO/c1-5-9(6-2)10(7-3)12-11(13)8-4/h5-8H,1-4H2,(H,12,13)
InChIKeyQMYZEYPERNTSKE-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N-prop-2-enoylbuta-2,3-dienamide
CID 87127669
N-hydroxyprop-2-enamide;hydrochloride
CID 87262131
N'-(prop-2-enoylamino)prop-2-enehydrazide
CID 19028369
tert-butyl N-prop-2-enoylcarbamate
CID 14817908
2-aminoacetic acid;N-(2-aminoacetyl)prop-2-enamide
CID 175562019
4-methyl-N-prop-2-enoylpent-2-enamide
CID 140774476
methanol;bis(N-methylprop-2-enamide)
CID 175170531
N-phosphorosoprop-2-enamide
CID 87115705
N'-methylprop-2-enehydrazide
CID 19086393
CID 173161904
CID 173161904
N-[(2S)-1,2-dihydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 129044406
O-ethyl N-prop-2-enoylcarbamothioate
CID 91430056

Frequently Asked Questions

What is the IUPAC name of N-(4-ethenylhexa-1,3,5-trien-3-yl)prop-2-enamide?
The IUPAC name of N-(4-ethenylhexa-1,3,5-trien-3-yl)prop-2-enamide (CID 162528154) is N-(4-ethenylhexa-1,3,5-trien-3-yl)prop-2-enamide.
What is the SMILES notation for N-(4-ethenylhexa-1,3,5-trien-3-yl)prop-2-enamide?
The canonical SMILES for N-(4-ethenylhexa-1,3,5-trien-3-yl)prop-2-enamide is C=CC(=O)NC(C=C)=C(C=C)C=C.
What is the InChIKey of N-(4-ethenylhexa-1,3,5-trien-3-yl)prop-2-enamide?
The InChIKey is QMYZEYPERNTSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-5-9(6-2)10(7-3)12-11(13)8-4/h5-8H,1-4H2,(H,12,13).
What are the key properties of N-(4-ethenylhexa-1,3,5-trien-3-yl)prop-2-enamide?
N-(4-ethenylhexa-1,3,5-trien-3-yl)prop-2-enamide has a molecular weight of 175.23 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenylhexa-1,3,5-trien-3-yl)prop-2-enamide is sourced from PubChem (CID 162528154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).