N-(3-propoxypropyl)prop-2-enamide

C9H17NO2 — CID 82941236

IUPACN-(3-propoxypropyl)prop-2-enamide
SMILESC=CC(=O)NCCCOCCC
InChIInChI=1S/C9H17NO2/c1-3-7-12-8-5-6-10-9(11)4-2/h4H,2-3,5-8H2,1H3,(H,10,11)
InChIKeyKPHFJBASUXJHDK-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.11
Rot. Bonds7

About N-(3-propoxypropyl)prop-2-enamide

N-(3-propoxypropyl)prop-2-enamide (PubChem CID 82941236) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(3-propoxypropyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-propoxypropyl)prop-2-enamide
PubChem CID82941236
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(3-propoxypropyl)prop-2-enamide
SMILESC=CC(=O)NCCCOCCC
InChIInChI=1S/C9H17NO2/c1-3-7-12-8-5-6-10-9(11)4-2/h4H,2-3,5-8H2,1H3,(H,10,11)
InChIKeyKPHFJBASUXJHDK-UHFFFAOYSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-(3-propoxypropyl)prop-2-enamide?
The IUPAC name of N-(3-propoxypropyl)prop-2-enamide (CID 82941236) is N-(3-propoxypropyl)prop-2-enamide.
What is the SMILES notation for N-(3-propoxypropyl)prop-2-enamide?
The canonical SMILES for N-(3-propoxypropyl)prop-2-enamide is C=CC(=O)NCCCOCCC.
What is the InChIKey of N-(3-propoxypropyl)prop-2-enamide?
The InChIKey is KPHFJBASUXJHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-7-12-8-5-6-10-9(11)4-2/h4H,2-3,5-8H2,1H3,(H,10,11).
What are the key properties of N-(3-propoxypropyl)prop-2-enamide?
N-(3-propoxypropyl)prop-2-enamide has a molecular weight of 171.24 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propoxypropyl)prop-2-enamide is sourced from PubChem (CID 82941236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).