7-aminoheptyl 2-methylprop-2-enoate

C11H21NO2 — CID 19024898

IUPAC7-aminoheptyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCN
InChIInChI=1S/C11H21NO2/c1-10(2)11(13)14-9-7-5-3-4-6-8-12/h1,3-9,12H2,2H3
InChIKeyBVPVMADJKMPFIH-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.01
Rot. Bonds8

About 7-aminoheptyl 2-methylprop-2-enoate

7-aminoheptyl 2-methylprop-2-enoate (PubChem CID 19024898) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 7-aminoheptyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name7-aminoheptyl 2-methylprop-2-enoate
PubChem CID19024898
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name7-aminoheptyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCN
InChIInChI=1S/C11H21NO2/c1-10(2)11(13)14-9-7-5-3-4-6-8-12/h1,3-9,12H2,2H3
InChIKeyBVPVMADJKMPFIH-UHFFFAOYSA-N
XLogP2.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 7-aminoheptyl 2-methylprop-2-enoate?
The IUPAC name of 7-aminoheptyl 2-methylprop-2-enoate (CID 19024898) is 7-aminoheptyl 2-methylprop-2-enoate.
What is the SMILES notation for 7-aminoheptyl 2-methylprop-2-enoate?
The canonical SMILES for 7-aminoheptyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCN.
What is the InChIKey of 7-aminoheptyl 2-methylprop-2-enoate?
The InChIKey is BVPVMADJKMPFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2)11(13)14-9-7-5-3-4-6-8-12/h1,3-9,12H2,2H3.
What are the key properties of 7-aminoheptyl 2-methylprop-2-enoate?
7-aminoheptyl 2-methylprop-2-enoate has a molecular weight of 199.29 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-aminoheptyl 2-methylprop-2-enoate is sourced from PubChem (CID 19024898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).