N-prop-2-enyl-N-(2-propoxyethyl)formamide

C9H17NO2 — CID 88775053

IUPACN-prop-2-enyl-N-(2-propoxyethyl)formamide
SMILESC=CCN(C=O)CCOCCC
InChIInChI=1S/C9H17NO2/c1-3-5-10(9-11)6-8-12-7-4-2/h3,9H,1,4-8H2,2H3
InChIKeyZMWCOVKWIXDBQU-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.06
Rot. Bonds8

About N-prop-2-enyl-N-(2-propoxyethyl)formamide

N-prop-2-enyl-N-(2-propoxyethyl)formamide (PubChem CID 88775053) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-prop-2-enyl-N-(2-propoxyethyl)formamide.

Molecular Properties

Compound NameN-prop-2-enyl-N-(2-propoxyethyl)formamide
PubChem CID88775053
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-prop-2-enyl-N-(2-propoxyethyl)formamide
SMILESC=CCN(C=O)CCOCCC
InChIInChI=1S/C9H17NO2/c1-3-5-10(9-11)6-8-12-7-4-2/h3,9H,1,4-8H2,2H3
InChIKeyZMWCOVKWIXDBQU-UHFFFAOYSA-N
XLogP1.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.06
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-(2-propoxyethyl)formamide?
The IUPAC name of N-prop-2-enyl-N-(2-propoxyethyl)formamide (CID 88775053) is N-prop-2-enyl-N-(2-propoxyethyl)formamide.
What is the SMILES notation for N-prop-2-enyl-N-(2-propoxyethyl)formamide?
The canonical SMILES for N-prop-2-enyl-N-(2-propoxyethyl)formamide is C=CCN(C=O)CCOCCC.
What is the InChIKey of N-prop-2-enyl-N-(2-propoxyethyl)formamide?
The InChIKey is ZMWCOVKWIXDBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-5-10(9-11)6-8-12-7-4-2/h3,9H,1,4-8H2,2H3.
What are the key properties of N-prop-2-enyl-N-(2-propoxyethyl)formamide?
N-prop-2-enyl-N-(2-propoxyethyl)formamide has a molecular weight of 171.24 g/mol, XLogP of 1.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-(2-propoxyethyl)formamide is sourced from PubChem (CID 88775053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).