N-but-3-en-2-yl-2-propoxyacetamide

C9H17NO2 — CID 103750096

IUPACN-but-3-en-2-yl-2-propoxyacetamide
SMILESC=CC(C)NC(=O)COCCC
InChIInChI=1S/C9H17NO2/c1-4-6-12-7-9(11)10-8(3)5-2/h5,8H,2,4,6-7H2,1,3H3,(H,10,11)
InChIKeyHPPIAHNSYMFHSQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.10
Rot. Bonds6

About N-but-3-en-2-yl-2-propoxyacetamide

N-but-3-en-2-yl-2-propoxyacetamide (PubChem CID 103750096) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-but-3-en-2-yl-2-propoxyacetamide.

Molecular Properties

Compound NameN-but-3-en-2-yl-2-propoxyacetamide
PubChem CID103750096
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-but-3-en-2-yl-2-propoxyacetamide
SMILESC=CC(C)NC(=O)COCCC
InChIInChI=1S/C9H17NO2/c1-4-6-12-7-9(11)10-8(3)5-2/h5,8H,2,4,6-7H2,1,3H3,(H,10,11)
InChIKeyHPPIAHNSYMFHSQ-UHFFFAOYSA-N
XLogP1.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-2-propoxyacetamide?
The IUPAC name of N-but-3-en-2-yl-2-propoxyacetamide (CID 103750096) is N-but-3-en-2-yl-2-propoxyacetamide.
What is the SMILES notation for N-but-3-en-2-yl-2-propoxyacetamide?
The canonical SMILES for N-but-3-en-2-yl-2-propoxyacetamide is C=CC(C)NC(=O)COCCC.
What is the InChIKey of N-but-3-en-2-yl-2-propoxyacetamide?
The InChIKey is HPPIAHNSYMFHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-6-12-7-9(11)10-8(3)5-2/h5,8H,2,4,6-7H2,1,3H3,(H,10,11).
What are the key properties of N-but-3-en-2-yl-2-propoxyacetamide?
N-but-3-en-2-yl-2-propoxyacetamide has a molecular weight of 171.24 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-2-propoxyacetamide is sourced from PubChem (CID 103750096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).