(Z)-N-formyl-N-pentylbut-2-enamide

C10H17NO2 — CID 89091731

IUPAC(Z)-N-formyl-N-pentylbut-2-enamide
SMILESC/C=C\C(=O)N(C=O)CCCCC
InChIInChI=1S/C10H17NO2/c1-3-5-6-8-11(9-12)10(13)7-4-2/h4,7,9H,3,5-6,8H2,1-2H3/b7-4-
InChIKeyMIPBHXSPARSIOI-DAXSKMNVSA-N
MW183.25 g/mol
LogP1.74
Rot. Bonds6

About (Z)-N-formyl-N-pentylbut-2-enamide

(Z)-N-formyl-N-pentylbut-2-enamide (PubChem CID 89091731) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (Z)-N-formyl-N-pentylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N-formyl-N-pentylbut-2-enamide
PubChem CID89091731
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(Z)-N-formyl-N-pentylbut-2-enamide
SMILESC/C=C\C(=O)N(C=O)CCCCC
InChIInChI=1S/C10H17NO2/c1-3-5-6-8-11(9-12)10(13)7-4-2/h4,7,9H,3,5-6,8H2,1-2H3/b7-4-
InChIKeyMIPBHXSPARSIOI-DAXSKMNVSA-N
XLogP1.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-formyl-N-(6-oxoheptyl)but-2-enamide
CID 142430846
6-[[(Z)-but-2-enoyl]-formylamino]-N-propan-2-ylhexanamide
CID 156883011
(E)-2-fluoro-N-formyl-N-hexylbut-2-enamide
CID 167200914
(E)-N,N-dipropylbut-2-enamide
CID 21329403
but-2-enoic acid;tetracosane
CID 159276528
(E)-N,N,N',N'-tetrahexylbut-2-enediamide
CID 91739801
2-oxo-N,N-dipentylacetamide
CID 173270633
N-butyl-N-cyclopropylbut-2-enamide
CID 112726716
6-[[(Z)-but-2-enoyl]-formylamino]-N-[3-methyl-1-[(3-methyl-2-oxobutyl)amino]-1-oxobutan-2-yl]hexanamide
CID 174273440
N-formyl-2-methyl-N-pentylbenzamide
CID 142115251
6-[3-[[(Z)-but-2-enoyl]-formylamino]propanoylamino]-N-[6-(3-methylsulfanylpropanoylamino)hexyl]hexanamide
CID 144842603
N-butyl-N-prop-1-enylacetamide
CID 54345806

Frequently Asked Questions

What is the IUPAC name of (Z)-N-formyl-N-pentylbut-2-enamide?
The IUPAC name of (Z)-N-formyl-N-pentylbut-2-enamide (CID 89091731) is (Z)-N-formyl-N-pentylbut-2-enamide.
What is the SMILES notation for (Z)-N-formyl-N-pentylbut-2-enamide?
The canonical SMILES for (Z)-N-formyl-N-pentylbut-2-enamide is C/C=C\C(=O)N(C=O)CCCCC.
What is the InChIKey of (Z)-N-formyl-N-pentylbut-2-enamide?
The InChIKey is MIPBHXSPARSIOI-DAXSKMNVSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-5-6-8-11(9-12)10(13)7-4-2/h4,7,9H,3,5-6,8H2,1-2H3/b7-4-.
What are the key properties of (Z)-N-formyl-N-pentylbut-2-enamide?
(Z)-N-formyl-N-pentylbut-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-formyl-N-pentylbut-2-enamide is sourced from PubChem (CID 89091731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).