ethyl prop-2-enoate;propan-1-amine

C8H17NO2 — CID 18325587

IUPACethyl prop-2-enoate;propan-1-amine
SMILESC=CC(=O)OCC.CCCN
InChIInChI=1S/C5H8O2.C3H9N/c1-3-5(6)7-4-2;1-2-3-4/h3H,1,4H2,2H3;2-4H2,1H3
InChIKeyAPJWHXYEVQNMEJ-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.09
Rot. Bonds3

About ethyl prop-2-enoate;propan-1-amine

ethyl prop-2-enoate;propan-1-amine (PubChem CID 18325587) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is ethyl prop-2-enoate;propan-1-amine.

Molecular Properties

Compound Nameethyl prop-2-enoate;propan-1-amine
PubChem CID18325587
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nameethyl prop-2-enoate;propan-1-amine
SMILESC=CC(=O)OCC.CCCN
InChIInChI=1S/C5H8O2.C3H9N/c1-3-5(6)7-4-2;1-2-3-4/h3H,1,4H2,2H3;2-4H2,1H3
InChIKeyAPJWHXYEVQNMEJ-UHFFFAOYSA-N
XLogP1.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl prop-2-enoate;propan-1-amine?
The IUPAC name of ethyl prop-2-enoate;propan-1-amine (CID 18325587) is ethyl prop-2-enoate;propan-1-amine.
What is the SMILES notation for ethyl prop-2-enoate;propan-1-amine?
The canonical SMILES for ethyl prop-2-enoate;propan-1-amine is C=CC(=O)OCC.CCCN.
What is the InChIKey of ethyl prop-2-enoate;propan-1-amine?
The InChIKey is APJWHXYEVQNMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C3H9N/c1-3-5(6)7-4-2;1-2-3-4/h3H,1,4H2,2H3;2-4H2,1H3.
What are the key properties of ethyl prop-2-enoate;propan-1-amine?
ethyl prop-2-enoate;propan-1-amine has a molecular weight of 159.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl prop-2-enoate;propan-1-amine is sourced from PubChem (CID 18325587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).