N-butylprop-2-enamide;hydrofluoride

C7H14FNO — CID 174533496

IUPACN-butylprop-2-enamide;hydrofluoride
SMILESC=CC(=O)NCCCC.F
InChIInChI=1S/C7H13NO.FH/c1-3-5-6-8-7(9)4-2;/h4H,2-3,5-6H2,1H3,(H,8,9);1H
InChIKeyYMBCGAABJAUFRG-UHFFFAOYSA-N
MW147.19 g/mol
LogP1.24
Rot. Bonds4

About N-butylprop-2-enamide;hydrofluoride

N-butylprop-2-enamide;hydrofluoride (PubChem CID 174533496) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is N-butylprop-2-enamide;hydrofluoride.

Molecular Properties

Compound NameN-butylprop-2-enamide;hydrofluoride
PubChem CID174533496
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC NameN-butylprop-2-enamide;hydrofluoride
SMILESC=CC(=O)NCCCC.F
InChIInChI=1S/C7H13NO.FH/c1-3-5-6-8-7(9)4-2;/h4H,2-3,5-6H2,1H3,(H,8,9);1H
InChIKeyYMBCGAABJAUFRG-UHFFFAOYSA-N
XLogP1.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butylprop-2-enamide;N-ethylethanamine
CID 22596658
N-heptadecylprop-2-enamide
CID 20727742
carbonic acid;N-hexylprop-2-enamide
CID 22445987
N-butylbutan-1-amine;N-propylprop-2-enamide
CID 22596638
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-[3-(hexylamino)propyl]prop-2-enamide
CID 87503959
N-[4-(propylamino)butyl]prop-2-enamide
CID 87503940
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-[(Z)-nonadec-10-enyl]prop-2-enamide
CID 87771405
molecular hydrogen;N-propylprop-2-enamide
CID 153372503
N-[3-(dioctylamino)propyl]prop-2-enamide
CID 54306964
N-[3-(prop-2-enoylamino)propyl]propanamide
CID 45119504

Frequently Asked Questions

What is the IUPAC name of N-butylprop-2-enamide;hydrofluoride?
The IUPAC name of N-butylprop-2-enamide;hydrofluoride (CID 174533496) is N-butylprop-2-enamide;hydrofluoride.
What is the SMILES notation for N-butylprop-2-enamide;hydrofluoride?
The canonical SMILES for N-butylprop-2-enamide;hydrofluoride is C=CC(=O)NCCCC.F.
What is the InChIKey of N-butylprop-2-enamide;hydrofluoride?
The InChIKey is YMBCGAABJAUFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.FH/c1-3-5-6-8-7(9)4-2;/h4H,2-3,5-6H2,1H3,(H,8,9);1H.
What are the key properties of N-butylprop-2-enamide;hydrofluoride?
N-butylprop-2-enamide;hydrofluoride has a molecular weight of 147.19 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylprop-2-enamide;hydrofluoride is sourced from PubChem (CID 174533496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).