prop-2-enoic acid;N-propylpropan-1-amine

C9H19NO2 — CID 87697192

IUPACprop-2-enoic acid;N-propylpropan-1-amine
SMILESC=CC(=O)O.CCCNCCC
InChIInChI=1S/C6H15N.C3H4O2/c1-3-5-7-6-4-2;1-2-3(4)5/h7H,3-6H2,1-2H3;2H,1H2,(H,4,5)
InChIKeyFZSKZOOGQJRFKZ-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.65
Rot. Bonds5

About prop-2-enoic acid;N-propylpropan-1-amine

prop-2-enoic acid;N-propylpropan-1-amine (PubChem CID 87697192) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is prop-2-enoic acid;N-propylpropan-1-amine.

Molecular Properties

Compound Nameprop-2-enoic acid;N-propylpropan-1-amine
PubChem CID87697192
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nameprop-2-enoic acid;N-propylpropan-1-amine
SMILESC=CC(=O)O.CCCNCCC
InChIInChI=1S/C6H15N.C3H4O2/c1-3-5-7-6-4-2;1-2-3(4)5/h7H,3-6H2,1-2H3;2H,1H2,(H,4,5)
InChIKeyFZSKZOOGQJRFKZ-UHFFFAOYSA-N
XLogP1.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
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 prop-2-enoic acid;N-propylpropan-1-amine?
The IUPAC name of prop-2-enoic acid;N-propylpropan-1-amine (CID 87697192) is prop-2-enoic acid;N-propylpropan-1-amine.
What is the SMILES notation for prop-2-enoic acid;N-propylpropan-1-amine?
The canonical SMILES for prop-2-enoic acid;N-propylpropan-1-amine is C=CC(=O)O.CCCNCCC.
What is the InChIKey of prop-2-enoic acid;N-propylpropan-1-amine?
The InChIKey is FZSKZOOGQJRFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C3H4O2/c1-3-5-7-6-4-2;1-2-3(4)5/h7H,3-6H2,1-2H3;2H,1H2,(H,4,5).
What are the key properties of prop-2-enoic acid;N-propylpropan-1-amine?
prop-2-enoic acid;N-propylpropan-1-amine has a molecular weight of 173.26 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoic acid;N-propylpropan-1-amine is sourced from PubChem (CID 87697192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).