1-bromobutyl prop-2-enoate;N,N-dimethylmethanamine

C10H20BrNO2 — CID 87224852

IUPAC1-bromobutyl prop-2-enoate;N,N-dimethylmethanamine
SMILESC=CC(=O)OC(Br)CCC.CN(C)C
InChIInChI=1S/C7H11BrO2.C3H9N/c1-3-5-6(8)10-7(9)4-2;1-4(2)3/h4,6H,2-3,5H2,1H3;1-3H3
InChIKeyMXIQHLHZCPGETR-UHFFFAOYSA-N
MW266.18 g/mol
LogP2.41
Rot. Bonds4

About 1-bromobutyl prop-2-enoate;N,N-dimethylmethanamine

1-bromobutyl prop-2-enoate;N,N-dimethylmethanamine (PubChem CID 87224852) has the molecular formula C10H20BrNO2 and a molecular weight of 266.18 g/mol. Its IUPAC name is 1-bromobutyl prop-2-enoate;N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-bromobutyl prop-2-enoate;N,N-dimethylmethanamine
PubChem CID87224852
Molecular FormulaC10H20BrNO2
Molecular Weight266.18 g/mol
Exact Mass265.07
IUPAC Name1-bromobutyl prop-2-enoate;N,N-dimethylmethanamine
SMILESC=CC(=O)OC(Br)CCC.CN(C)C
InChIInChI=1S/C7H11BrO2.C3H9N/c1-3-5-6(8)10-7(9)4-2;1-4(2)3/h4,6H,2-3,5H2,1H3;1-3H3
InChIKeyMXIQHLHZCPGETR-UHFFFAOYSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-fluoropentan-2-yl prop-2-enoate
CID 174661468
3-ethylheptan-4-yl prop-2-enoate
CID 123986793
1-bromobutyl 2-methylprop-2-enoate
CID 87523903
1-(dimethylamino)decyl prop-2-enoate
CID 88815695
1-hydroxybutyl prop-2-enoate;prop-2-en-1-ol
CID 88525550
[1-(dimethylamino)-2-ethoxy-2-oxoethyl] prop-2-enoate
CID 174992318
trimethyl(1-prop-2-enoyloxybutyl)azanium iodide
CID 87225159
N,N-dimethylmethanamine;1-iodoethyl prop-2-enoate
CID 87224963
1-(dimethylamino)propyl prop-2-enoate;hydrofluoride
CID 173036316
pentadecan-4-yl prop-2-enoate
CID 543287
1-iodotridecyl prop-2-enoate
CID 90218413
1-prop-2-enoxypentan-2-yl prop-2-enoate
CID 171774459

Frequently Asked Questions

What is the IUPAC name of 1-bromobutyl prop-2-enoate;N,N-dimethylmethanamine?
The IUPAC name of 1-bromobutyl prop-2-enoate;N,N-dimethylmethanamine (CID 87224852) is 1-bromobutyl prop-2-enoate;N,N-dimethylmethanamine.
What is the SMILES notation for 1-bromobutyl prop-2-enoate;N,N-dimethylmethanamine?
The canonical SMILES for 1-bromobutyl prop-2-enoate;N,N-dimethylmethanamine is C=CC(=O)OC(Br)CCC.CN(C)C.
What is the InChIKey of 1-bromobutyl prop-2-enoate;N,N-dimethylmethanamine?
The InChIKey is MXIQHLHZCPGETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrO2.C3H9N/c1-3-5-6(8)10-7(9)4-2;1-4(2)3/h4,6H,2-3,5H2,1H3;1-3H3.
What are the key properties of 1-bromobutyl prop-2-enoate;N,N-dimethylmethanamine?
1-bromobutyl prop-2-enoate;N,N-dimethylmethanamine has a molecular weight of 266.18 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromobutyl prop-2-enoate;N,N-dimethylmethanamine is sourced from PubChem (CID 87224852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).