N-(2-bromoprop-2-enyl)-3,4,4-trimethylpentanamide

C11H20BrNO — CID 115618776

IUPACN-(2-bromoprop-2-enyl)-3,4,4-trimethylpentanamide
SMILESC=C(Br)CNC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C11H20BrNO/c1-8(11(3,4)5)6-10(14)13-7-9(2)12/h8H,2,6-7H2,1,3-5H3,(H,13,14)
InChIKeyDYFXEJSHZNTKQZ-UHFFFAOYSA-N
MW262.19 g/mol
LogP3.08
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-3,4,4-trimethylpentanamide

N-(2-bromoprop-2-enyl)-3,4,4-trimethylpentanamide (PubChem CID 115618776) has the molecular formula C11H20BrNO and a molecular weight of 262.19 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-3,4,4-trimethylpentanamide
PubChem CID115618776
Molecular FormulaC11H20BrNO
Molecular Weight262.19 g/mol
Exact Mass261.07
IUPAC NameN-(2-bromoprop-2-enyl)-3,4,4-trimethylpentanamide
SMILESC=C(Br)CNC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C11H20BrNO/c1-8(11(3,4)5)6-10(14)13-7-9(2)12/h8H,2,6-7H2,1,3-5H3,(H,13,14)
InChIKeyDYFXEJSHZNTKQZ-UHFFFAOYSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-2-propan-2-yl-N-prop-2-enylbutanamide
CID 87898027
2-tert-butyl-4,4-dimethyl-N-prop-2-enylpentanamide
CID 88560556
(2R)-2,3,3-trimethyl-N-[(E)-2-methylbut-2-enyl]pentanamide
CID 88991997
4,4-dimethyl-2-propan-2-yl-N-prop-2-enylpentanamide
CID 89151531
2,4,4-trimethyl-2-propan-2-yl-N-prop-2-enylpentanamide
CID 89362793
2,3,3-trimethyl-N-(2-methylbut-2-enyl)pentanamide
CID 123780328
2-tert-butyl-2,4,4-trimethyl-N-prop-2-enylpentanamide
CID 156569078
2,2,4-trimethyl-N-prop-2-enylpentanamide
CID 166713850
N-(2-bromoprop-2-enyl)-4-tert-butylcyclohexane-1-carboxamide
CID 56135190
3,4,4-trimethyl-N-prop-2-enylpentanamide
CID 63820669
N-(2-bromoethyl)-3,4,4-trimethylpentanamide
CID 63834001
N-(3-bromopropyl)-3,4,4-trimethylpentanamide
CID 63834180

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-3,4,4-trimethylpentanamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-3,4,4-trimethylpentanamide (CID 115618776) is N-(2-bromoprop-2-enyl)-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-3,4,4-trimethylpentanamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-3,4,4-trimethylpentanamide is C=C(Br)CNC(=O)CC(C)C(C)(C)C.
What is the InChIKey of N-(2-bromoprop-2-enyl)-3,4,4-trimethylpentanamide?
The InChIKey is DYFXEJSHZNTKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO/c1-8(11(3,4)5)6-10(14)13-7-9(2)12/h8H,2,6-7H2,1,3-5H3,(H,13,14).
What are the key properties of N-(2-bromoprop-2-enyl)-3,4,4-trimethylpentanamide?
N-(2-bromoprop-2-enyl)-3,4,4-trimethylpentanamide has a molecular weight of 262.19 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-3,4,4-trimethylpentanamide is sourced from PubChem (CID 115618776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).